data_2k9a_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 2k9a _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 ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' O ' HD21 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.543 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.486 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.486 ' HB ' ' HD1' ' A' ' 100' ' ' HIS . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HB2' HG23 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HD1' HG22 ' A' ' 104' ' ' VAL . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' ' 100' ' ' HIS . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.525 ' HA ' HE21 ' A' ' 98' ' ' GLN . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 95' ' ' THR . 49.7 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.461 ' HA ' HD11 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.718 0.294 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.728 HD21 ' H ' ' A' ' 92' ' ' ALA . 5.0 t30 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.728 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 HD12 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 HD12 HD22 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.503 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.4 mm100 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.746 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.5 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.433 ' HA ' ' HZ2' ' A' ' 101' ' ' LYS . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.433 ' HZ2' ' HA ' ' A' ' 98' ' ' GLN . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.4 ' HE2' ' HB3' ' A' ' 111' ' ' MET . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.735 0.302 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 25.0 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HA ' HD13 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.717 0.294 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.548 HG12 ' HE3' ' A' ' 111' ' ' MET . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.8 OUTLIER -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.564 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.426 ' C ' HD21 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.548 ' HE3' HG12 ' A' ' 32' ' ' ILE . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.496 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.681 0.277 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 28' ' ' LEU . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.557 ' HA ' HE21 ' A' ' 83' ' ' GLN . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.0 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 105' ' ' ALA . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.083 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.646 0.26 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.543 HG12 ' HE1' ' A' ' 111' ' ' MET . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 45' ' ' MET . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.542 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.449 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 1.8 p-10 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.449 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.543 ' HE1' HG12 ' A' ' 32' ' ' ILE . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.576 0.227 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.479 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD13 HD23 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 HD11 HD23 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.46 HD22 HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.678 0.275 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.429 ' O ' HD21 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HD1' HG22 ' A' ' 104' ' ' VAL . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.587 ' HB2' ' HZ3' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HD1' ' A' ' 100' ' ' HIS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HA ' HD11 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.538 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.614 ' HB2' ' HZ1' ' A' ' 59' ' ' LYS . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.642 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.501 ' O ' HD22 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD11 HD23 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB3' HD23 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.487 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.688 0.28 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 HD12 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' HD22 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.426 HD21 ' HB2' ' A' ' 92' ' ' ALA . 2.0 p-10 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 89' ' ' ASN . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.762 0.315 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.504 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.462 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.538 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.538 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HG11 ' A' ' 104' ' ' VAL . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 101' ' ' LYS . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.623 0.249 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.418 ' HZ ' ' HG ' ' A' ' 97' ' ' LEU . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.547 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.63 ' HZ1' ' HB3' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.587 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.587 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.429 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.412 ' HD1' HG22 ' A' ' 104' ' ' VAL . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' HD1' ' A' ' 100' ' ' HIS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.779 0.323 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.54 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.48 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.666 0.27 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.495 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.618 ' HA ' HE21 ' A' ' 83' ' ' GLN . 32.2 mm-40 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.618 HE21 ' HA ' ' A' ' 80' ' ' GLN . 43.2 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.59 ' HD1' HG13 ' A' ' 104' ' ' VAL . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.59 HG13 ' HD1' ' A' ' 100' ' ' HIS . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.443 ' HG1' ' N ' ' A' ' 117' ' ' ASP . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.443 ' N ' ' HG1' ' A' ' 116' ' ' THR . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' H ' ' ND2' ' A' ' 89' ' ' ASN . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 23.8 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.636 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.525 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.438 ' HD1' HG22 ' A' ' 104' ' ' VAL . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.438 HG22 ' HD1' ' A' ' 100' ' ' HIS . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.556 ' HZ1' HD23 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.556 HD23 ' HZ1' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.483 ' HE2' HG22 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.467 HD13 ' HB1' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.491 ' HA ' HD11 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.72 0.295 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.632 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' O ' HD22 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HB3' HD23 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.4 ' HA ' ' NE2' ' A' ' 99' ' ' HIS . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' NE2' ' HA ' ' A' ' 96' ' ' THR . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.463 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.707 0.289 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HA ' HD22 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.559 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.559 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.486 HD21 ' H ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.529 ' HA ' HE21 ' A' ' 98' ' ' GLN . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 95' ' ' THR . 42.7 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HG2' HD12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.618 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 HD12 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.417 HD21 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' HD21 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.475 ' HB ' ' HD1' ' A' ' 100' ' ' HIS . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.468 ' HA ' HD13 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.494 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.43 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 HD13 HD13 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.445 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.448 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.594 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 HD13 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.576 HD13 HD23 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HB3' HD13 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.428 ' C ' HD21 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HA ' HD11 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 111' ' ' MET . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.423 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.538 ' HB3' HG23 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.474 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.689 0.281 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' HA ' ' A' ' 30' ' ' ASP . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.479 HD21 ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 89' ' ' ASN . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 32' ' ' ILE . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 28' ' ' LEU . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.769 HD21 ' H ' ' A' ' 92' ' ' ALA . 4.5 t30 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.769 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HZ1' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.502 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' O ' HD22 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm100 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.641 0.258 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' HG22 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.629 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 83' ' ' GLN . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.7 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.416 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' HA ' HE21 ' A' ' 98' ' ' GLN . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 95' ' ' THR . 47.7 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.468 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.705 0.288 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 111' ' ' MET . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' O ' HD21 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.741 0.305 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.4 mm100 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HA ' HG11 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 HG11 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.407 HD11 ' HB1' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.689 0.281 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.657 0.265 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 24' ' ' VAL . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 25' ' ' VAL . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.48 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.42 HD13 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.408 HG13 HD23 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.431 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.564 ' HD1' HG23 ' A' ' 104' ' ' VAL . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 100' ' ' HIS . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.71 0.29 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.525 HG12 ' HE3' ' A' ' 111' ' ' MET . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HA ' HG11 ' A' ' 104' ' ' VAL . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 101' ' ' LYS . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB1' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.525 ' HE3' HG12 ' A' ' 32' ' ' ILE . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.619 0.247 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD11 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.435 ' HG3' ' HH ' ' A' ' 76' ' ' TYR . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD22 HD12 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HH ' ' HG3' ' A' ' 36' ' ' GLU . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.447 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.669 0.271 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HA ' HD11 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' HE1' ' A' ' 111' ' ' MET . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD12 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.478 ' HE1' HG12 ' A' ' 32' ' ' ILE . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG11 ' A' ' 24' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.445 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HB2' HD12 ' A' ' 85' ' ' ILE . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 1.6 p-10 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG12 ' HE2' ' A' ' 111' ' ' MET . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.646 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 112' ' ' LEU . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.408 ' HE2' HG12 ' A' ' 32' ' ' ILE . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 109' ' ' PHE . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.547 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.665 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.497 ' HB3' HD13 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.544 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.825 0.345 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -153.98 137.52 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.42 173.3 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -127.17 105.98 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -130.38 126.83 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.7 81.78 0.04 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.91 -60.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -95.45 -0.86 51.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.055 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -71.61 118.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.05 160.5 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.368 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.09 -64.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.681 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -153.14 -28.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.19 111.04 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -99.17 133.73 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 t -165.83 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.23 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -70.31 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -167.3 -18.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.81 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.405 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' O ' HD21 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.543 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.486 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.486 ' HB ' ' HD1' ' A' ' 100' ' ' HIS . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.26 -24.66 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -68.99 -26.83 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.54 -0.53 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.63 90.17 0.15 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -163.05 132.65 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -144.76 -26.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.28 -173.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.425 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.0 mp -87.55 -18.81 28.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -111.88 149.42 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.11 154.38 28.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.469 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.28 131.35 36.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.715 0.293 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t 64.68 153.49 0.06 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.09 145.21 43.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.81 157.04 17.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 11' ' ' LEU . 2.7 pt? -69.53 140.15 53.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -164.14 -6.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -113.44 -74.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -102.63 -172.14 2.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -144.95 -33.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -67.7 -24.56 65.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -105.13 -6.91 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.168 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.13 -174.11 3.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.6 65.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD21 HD13 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD13 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -74.86 -28.16 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.618 ' HZ2' ' HB3' ' A' ' 132' ' ' LYS . 4.0 mmmp? -63.7 -32.47 73.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.21 -8.73 57.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -87.27 49.04 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.34 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 59.7 100.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.575 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -99.37 142.58 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.32 -13.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' N ' HD13 ' A' ' 4' ' ' LEU . 7.2 mp -97.04 128.86 44.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.72 -35.83 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.43 174.0 27.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.585 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.9 -83.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 111.213 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -63.72 166.73 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -67.23 141.76 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.07 175.04 9.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.27 11.1 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.401 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -88.72 139.25 30.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -131.55 -40.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -140.75 179.66 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.9 m -88.66 3.26 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 18' ' ' ASP . . . -64.47 -4.61 4.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 19' ' ' ALA . 49.0 m -67.85 0.59 3.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' SER . 6.6 m-20 75.13 -38.54 0.38 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.488 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' H ' ' C ' ' A' ' 17' ' ' SER . . . -68.28 -52.89 28.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HB2' HG23 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 HG23 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HD1' HG22 ' A' ' 104' ' ' VAL . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' ' 100' ' ' HIS . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.13 -26.59 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.26 -17.84 64.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.19 -26.98 60.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.47 66.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.37 -0.39 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.996 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.438 -1.201 . . . . 0.0 112.514 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.768 0.318 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.94 -0.52 57.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 152.23 11.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.0 tt -98.23 -37.15 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -158.33 -32.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.97 111.72 2.12 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.669 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.14 -27.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.527 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -129.03 -172.64 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -61.0 114.88 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.86 -71.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.9 mt 56.45 31.04 18.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -67.7 -71.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.52 149.49 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.998 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -150.7 -178.32 6.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 14' ' ' SER . 40.4 m 74.88 -43.8 0.53 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.799 0.687 . . . . 0.0 111.711 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -57.79 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -96.04 22.05 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.28 -174.89 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -23.31 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.525 ' HA ' HE21 ' A' ' 98' ' ' GLN . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 95' ' ' THR . 49.7 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.461 ' HA ' HD11 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.416 ' HH ' ' HZ1' ' A' ' 132' ' ' LYS . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -22.82 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.416 ' HZ1' ' HH ' ' A' ' 128' ' ' TYR . 75.7 mmtt -68.33 -17.51 64.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.05 -5.59 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -103.01 34.01 6.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -77.38 -31.17 54.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.524 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 58.72 95.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.52 1.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 HD21 ' H ' ' A' ' 4' ' ' LEU . 2.5 pt? -119.89 -18.99 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -91.85 -18.01 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.06 179.95 45.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.632 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.92 -175.25 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.7 0.286 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.3 m -130.53 -65.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.171 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 60.25 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.37 154.56 23.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.98 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.01 114.32 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -109.77 153.38 24.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 t80 60.68 106.42 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.257 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -103.94 114.74 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -124.2 -36.4 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -75.58 -28.06 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.272 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.8 t -101.23 0.32 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.762 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -104.12 176.9 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.57 50.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.397 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.728 HD21 ' H ' ' A' ' 92' ' ' ALA . 5.0 t30 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.728 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.41 ' HH ' ' HZ2' ' A' ' 132' ' ' LYS . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.88 -26.35 67.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.41 ' HZ2' ' HH ' ' A' ' 128' ' ' TYR . 75.4 mmtt -68.09 -21.69 64.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -79.09 -1.01 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.03 57.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.19 -31.82 26.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.794 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -134.49 121.22 20.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.12 -177.99 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.4 pt? -81.97 -6.85 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.11 -173.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.91 161.09 30.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -128.99 104.49 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -130.15 -33.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 108.49 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -136.5 -175.13 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.6 m -65.54 -51.49 59.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -96.21 94.55 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 16' ' ' ALA . 44.7 t -169.28 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.444 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 42.3 t 67.63 -8.87 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.655 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 14' ' ' SER . . . -55.38 -30.55 60.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -54.08 142.28 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.83 -25.69 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -57.16 6.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.936 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD22 HD12 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 HD12 HD22 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.423 ' H ' ' ND2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.42 -23.41 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -63.69 -23.18 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.27 -24.14 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.49 33.22 86.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 58.88 18.33 6.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.492 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -130.96 -39.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.61 144.82 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.0 tp -83.42 -70.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.74 -37.54 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.93 89.89 0.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.179 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.88 108.55 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.046 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.0 p -163.26 118.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 59.28 101.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.97 -33.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.05 170.27 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -148.75 -5.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 63.8 156.85 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.239 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -171.33 -169.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m 65.47 -79.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.95 -16.59 7.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.585 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.4 m -130.41 24.99 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -153.95 -84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.12 -57.25 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.503 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.503 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.558 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.4 mm100 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.7 -29.65 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.648 ' HZ2' ' HB3' ' A' ' 132' ' ' LYS . 3.7 mmmp? -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.58 -29.87 70.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.77 -37.55 3.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -89.85 142.72 27.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.556 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.747 0.308 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -134.5 140.36 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.1 130.85 14.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 -2.94 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.45 145.94 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.41 -55.75 0.53 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.91 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -105.45 131.34 52.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t 59.21 99.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.76 -52.96 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 130.27 42.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 11' ' ' LEU . 6.7 mp -75.25 -11.15 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -77.26 161.73 27.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -97.14 7.68 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 m -77.89 111.39 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -79.28 -16.73 55.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.22 30.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.293 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -86.36 9.04 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -103.17 167.1 10.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -23.39 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.37 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.5 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' HB3' HD21 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' HA ' ' HZ2' ' A' ' 101' ' ' LYS . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.433 ' HZ2' ' HA ' ' A' ' 98' ' ' GLN . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.4 ' HE2' ' HB3' ' A' ' 111' ' ' MET . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.514 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.88 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' A' ' 132' ' ' LYS . 4.3 mmmp? -63.34 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.156 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.1 3.87 24.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.44 60.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.54 178.54 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.55 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.69 -58.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 155.12 33.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -67.37 173.33 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -104.24 -46.62 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.24 24.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.375 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.48 179.66 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -116.03 142.71 46.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -66.31 166.79 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.84 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.3 mp -92.22 111.0 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -102.49 152.95 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.81 -19.52 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -76.49 113.91 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -150.88 -27.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.95 44.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 t -120.44 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.35 -95.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.94 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.589 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 25.0 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.498 ' HA ' HD13 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.73 -17.65 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.07 -4.24 27.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.4 -22.81 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.91 -14.1 21.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 58.08 91.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.797 0.332 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.26 163.26 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.41 -51.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 pt? -124.2 2.89 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -140.79 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.55 -156.25 17.78 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -88.45 -174.54 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.745 0.307 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.47 114.63 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -120.2 -174.19 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.35 178.96 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.58 116.68 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -157.66 150.38 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.58 -60.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -145.36 -174.83 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 26.53 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -63.77 -9.19 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.8 p -120.31 4.45 10.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.171 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -130.71 -93.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.243 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 -57.38 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.619 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.418 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.73 -28.11 69.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -69.6 -8.2 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.51 4.0 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.61 12.83 4.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -72.31 -62.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 tpp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -111.61 -174.0 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.23 16.88 5.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -127.72 -34.61 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.05 112.0 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.91 -158.93 21.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.52 167.34 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.5 p -147.88 101.02 3.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -140.85 -10.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.38 17.05 6.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.388 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -103.72 115.02 29.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -168.74 125.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.6 -64.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 49.0 m -80.47 -31.22 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 m 62.95 -83.3 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.228 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -23.77 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.441 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' HB2' ' HB3' ' A' ' 14' ' ' SER . 57.6 m -119.88 22.52 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 14.5 t70 -148.0 -89.59 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.32 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.548 HG12 ' HE3' ' A' ' 111' ' ' MET . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.8 OUTLIER -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.477 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.564 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.426 ' C ' HD21 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.548 ' HE3' HG12 ' A' ' 32' ' ' ILE . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.496 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.496 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.94 -23.6 65.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.586 ' HB3' ' HZ3' ' A' ' 132' ' ' LYS . 1.4 mmmp? -68.01 -26.59 65.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -87.34 -7.97 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.54 52.65 4.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.45 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -129.05 -63.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.38 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -82.01 -59.71 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.73 139.82 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.1 tp -102.11 -44.27 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -135.47 -25.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.9 172.25 19.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -106.37 -25.54 11.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -56.71 -27.77 59.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.79 117.59 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.86 129.56 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.333 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.76 6.41 36.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -86.08 137.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.11 127.44 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.755 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -69.84 127.92 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 m -147.87 -22.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -72.74 -30.26 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.9 p -100.42 12.31 37.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -118.07 -176.37 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.048 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.25 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 28' ' ' LEU . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD21 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.557 ' HA ' HE21 ' A' ' 83' ' ' GLN . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.0 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 105' ' ' ALA . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.07 -22.22 64.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.71 -6.42 48.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.14 -6.1 58.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.42 -0.96 40.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.88 119.77 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.57 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -110.22 159.67 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.18 127.61 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.04 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.89 161.56 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.25 178.26 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.77 137.08 5.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.92 -1.0 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.713 0.292 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m 56.64 -170.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -66.79 157.63 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 178.71 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.281 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.58 -29.43 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -86.95 159.78 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -127.69 118.54 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 15' ' ' SER . 43.4 t -134.07 -52.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 14' ' ' SER . 49.4 m 74.13 -38.79 0.41 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.713 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -83.69 -4.42 58.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.652 0.263 . . . . 0.0 111.517 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -120.83 23.27 10.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.604 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.42 -168.69 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.09 44.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.05 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB2' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.418 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.98 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.86 -30.03 69.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.98 13.27 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.014 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.73 67.72 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -144.68 120.83 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -129.47 135.55 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.84 -168.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -85.94 2.14 47.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.36 173.35 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.07 56.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.407 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 62.67 -82.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -111.07 131.46 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -153.42 -45.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 161.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.2 mt -97.56 142.95 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 p -109.96 127.58 54.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -147.74 3.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -81.94 6.23 16.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.7 p -154.33 -31.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.53 -55.15 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -80.72 5.81 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.54 176.31 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.01 -23.45 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.51 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.543 HG12 ' HE1' ' A' ' 111' ' ' MET . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 45' ' ' MET . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.542 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.449 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 1.8 p-10 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.449 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.543 ' HE1' HG12 ' A' ' 32' ' ' ILE . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -23.21 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -18.71 63.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 110.47 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.76 -24.93 59.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.9 88.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.554 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -67.32 169.58 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.472 -1.182 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -120.24 176.01 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 101.27 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 mt -112.11 -61.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.02 140.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.73 -91.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.577 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -78.8 170.43 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 t -82.55 -26.59 32.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -89.08 131.44 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.18 3.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.045 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt 59.96 174.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.2 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -98.01 4.64 49.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 62.84 -84.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p 49.15 33.68 5.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.3 p -145.13 -39.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 96' ' ' THR . . . -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -97.74 10.22 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.0 -172.25 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.67 65.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.643 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.479 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD13 HD23 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD11 HD23 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.435 HG22 ' HB1' ' A' ' 16' ' ' ALA . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD22 HG13 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG13 HD22 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -28.17 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.26 -24.45 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -78.09 -6.18 53.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -72.03 -31.27 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.811 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -120.18 -15.34 8.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.736 0.303 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.792 0.33 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -111.55 -70.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.11 -2.63 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.79 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.81 99.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.67 -73.69 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.12 112.94 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -162.2 -29.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -101.24 136.27 41.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.65 116.28 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.7 16.6 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -56.86 154.55 9.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.67 149.0 40.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -98.46 172.74 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.2 p -69.92 -18.47 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.77 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.33 -58.95 6.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.1 p -81.32 5.48 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.793 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -98.02 167.93 10.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -23.3 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.468 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.429 ' O ' HD21 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' HD1' HG22 ' A' ' 104' ' ' VAL . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.587 ' HB2' ' HZ3' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' HD1' ' A' ' 100' ' ' HIS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.1 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.82 72.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.71 0.29 . . . . 0.0 111.193 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -4.9 37.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.95 59.11 9.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 9.6 mpt_? 60.87 102.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.878 0.371 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.629 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.42 -28.39 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.11 136.08 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 4' ' ' LEU . 2.6 pt? -59.37 137.84 57.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 58.79 -175.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.01 -157.94 10.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.386 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.16 179.28 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -75.38 125.63 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -75.75 168.35 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.1 -179.0 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.6 pt? -59.7 143.74 49.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -76.61 115.91 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 61.79 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -154.69 -174.35 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -122.19 -53.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.26 -4.99 24.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.2 t -57.58 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -172.23 -24.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.245 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -57.47 6.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HA ' HD11 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.538 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.614 ' HB2' ' HZ1' ' A' ' 59' ' ' LYS . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.642 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.501 ' O ' HD22 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD11 HD23 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB3' HD23 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.487 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.487 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.415 ' HH ' ' HZ1' ' A' ' 132' ' ' LYS . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -66.52 -20.43 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.415 ' HZ1' ' HH ' ' A' ' 128' ' ' TYR . 74.9 mmtt -72.52 -12.0 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -96.06 1.07 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.79 -74.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -93.05 1.29 57.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 tpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 58.42 22.15 9.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.65 16.56 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.24 -2.43 24.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.44 -170.85 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.06 -155.8 25.91 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -135.49 117.11 14.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.814 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.2 t -162.13 -22.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.767 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 58.92 19.1 6.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 179.84 4.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 11' ' ' LEU . 2.6 pt? -162.27 -179.21 6.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.874 0.369 . . . . 0.0 111.099 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t 59.35 103.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -138.83 103.74 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -154.48 -63.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.4 m -91.43 -37.55 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.57 5.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.354 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -55.08 138.13 44.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.422 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.18 -23.57 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.068 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.4 5.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 HD12 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' HD22 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.426 HD21 ' HB2' ' A' ' 92' ' ' ALA . 2.0 p-10 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 89' ' ' ASN . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.48 -29.55 70.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -68.07 -31.92 71.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -92.74 -0.45 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -64.93 -79.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.733 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -98.02 156.85 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.576 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -142.66 7.36 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.95 -10.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.31 115.61 28.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -156.18 -16.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.59 121.79 27.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.406 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.51 139.65 33.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -104.9 -39.6 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.75 178.48 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.16 154.51 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.46 111.23 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -134.14 -23.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.0 158.22 15.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -85.42 121.31 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.469 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 49.4 m -126.47 -44.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.86 -4.69 39.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.204 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -54.25 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -171.38 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.53 5.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.443 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.03 -24.91 67.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.43 -48.82 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.77 2.07 24.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.97 -54.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -166.96 -64.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.429 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.62 -31.84 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.733 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.63 138.12 39.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp 58.71 97.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.63 138.95 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.81 -170.9 27.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.366 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 166.96 22.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.7 m -84.7 132.79 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.764 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -80.47 155.23 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.27 141.66 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt 60.04 -179.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -132.93 154.4 50.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -113.6 -0.02 14.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -94.06 111.36 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -140.06 -41.81 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.61 76.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -96.95 14.05 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.456 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -109.06 172.11 7.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . -58.64 -23.74 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.266 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.504 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.462 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.538 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.538 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' HA ' HG11 ' A' ' 104' ' ' VAL . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 101' ' ' LYS . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.484 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.85 -34.07 74.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -61.78 -25.38 67.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -81.44 -29.49 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.33 -30.67 8.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.551 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -98.69 114.45 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -162.78 13.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.78 150.4 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.85 158.76 18.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 62.21 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.125 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.86 96.75 1.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -126.87 -172.04 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.306 . . . . 0.0 110.816 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.38 122.45 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -63.22 124.21 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.08 154.9 26.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -155.23 123.12 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -137.07 146.0 44.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.61 161.66 23.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.6 p -117.28 172.21 7.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.637 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 9.6 t -168.91 -162.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.568 -179.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -62.26 -20.32 64.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.42 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -104.49 20.25 18.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.637 ' HB2' ' H ' ' A' ' 15' ' ' SER . 5.2 m-20 -137.14 -164.64 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.74 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.645 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HD11 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.547 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.63 ' HZ1' ' HB3' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.587 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.429 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' HD1' HG22 ' A' ' 104' ' ' VAL . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' HD1' ' A' ' 100' ' ' HIS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.449 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.56 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -70.9 -14.43 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.88 -6.3 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.89 -39.95 3.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -155.89 117.51 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.539 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 4' ' ' LEU . 7.9 m-20 -131.34 -64.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.0 -4.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.924 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' ASP . 10.4 mp -115.41 136.16 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.45 131.47 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.59 78.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -105.67 -13.22 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -76.84 161.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -160.62 143.38 13.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.78 -36.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD21 ' H ' ' A' ' 13' ' ' PHE . 6.9 tt 60.56 97.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -105.51 24.34 12.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' H ' HD21 ' A' ' 11' ' ' LEU . 13.3 t80 63.06 10.58 4.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.868 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -99.07 146.28 26.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.493 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 76.1 p -92.05 -39.34 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.485 ' HB3' ' HE2' ' A' ' 100' ' ' HIS . . . -70.96 -4.54 25.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.412 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -50.81 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -175.27 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.43 38.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.571 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HD11 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.54 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' HG3' HG21 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.43 HG21 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.48 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 16' ' ' ALA . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.75 -21.71 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.82 -19.06 64.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.1 -27.62 67.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.1 17.0 28.66 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -90.08 -9.74 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.464 179.911 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -109.39 -47.52 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.337 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -89.08 138.4 31.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.29 -20.9 13.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.06 67.59 0.2 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.77 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.36 -35.2 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t -104.23 8.77 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.61 137.84 42.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.065 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.87 90.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.4 mt -136.09 -174.48 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 m -107.37 126.29 52.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.704 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -127.6 -6.03 5.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.095 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -161.58 114.64 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 t -165.74 -81.65 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -81.54 -41.95 20.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.411 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -85.48 27.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -139.64 170.12 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.22 43.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.513 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.529 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.495 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.618 ' HA ' HE21 ' A' ' 83' ' ' GLN . 32.2 mm-40 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.618 HE21 ' HA ' ' A' ' 80' ' ' GLN . 43.2 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.59 ' HD1' HG13 ' A' ' 104' ' ' VAL . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.59 HG13 ' HD1' ' A' ' 100' ' ' HIS . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.443 ' HG1' ' N ' ' A' ' 117' ' ' ASP . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.443 ' N ' ' HG1' ' A' ' 116' ' ' THR . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.81 -25.88 68.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.73 -28.5 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.763 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.9 -0.97 57.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.02 -52.23 5.84 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.655 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -92.15 140.91 29.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.467 179.914 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -79.38 -172.16 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.84 -27.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -95.35 124.6 39.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -128.62 -5.08 5.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.38 159.85 24.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.648 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -137.36 -64.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -157.73 162.25 38.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -136.42 109.23 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 105.32 3.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.32 -171.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.0 m 61.05 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -59.08 102.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -155.66 154.44 31.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 m -117.9 -56.86 2.15 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 96' ' ' THR . . . -54.35 -20.01 6.53 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -119.02 -172.26 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 57.78 -165.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.02 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.25 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' H ' ' ND2' ' A' ' 89' ' ' ASN . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 16' ' ' ALA . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.67 -17.07 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.655 ' HZ1' ' HB3' ' A' ' 132' ' ' LYS . 3.4 mmmp? -63.75 -33.95 76.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.814 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.28 -8.92 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.23 -63.08 2.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.391 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 60.55 178.53 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.571 179.949 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.93 -27.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.46 112.2 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 4' ' ' LEU . 6.7 mp -97.39 160.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -160.02 126.67 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.57 90.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.69 -27.71 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -97.26 127.48 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -141.19 123.77 15.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.754 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 110.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.05 -69.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -163.37 -57.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.66 91.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -147.34 119.0 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.75 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HB3' ' H ' ' A' ' 20' ' ' GLU . 48.1 t -132.12 87.8 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.69 -7.52 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.992 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.0 p -60.85 -62.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -175.01 -19.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.366 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -58.34 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 -179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' H ' ' HB3' ' A' ' 15' ' ' SER . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.425 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HA ' HD13 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' N ' HD21 ' A' ' 67' ' ' ASN . 0.9 OUTLIER -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 23.8 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.59 -33.72 74.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -68.88 -25.74 64.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.79 -6.88 55.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.79 105.19 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -61.81 134.88 57.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.528 179.897 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.739 0.304 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -133.0 -4.39 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.72 -66.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.7 tp -105.55 130.34 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -105.89 150.97 25.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.32 -88.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.27 148.32 22.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.144 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.6 p -143.18 -3.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -68.75 -31.06 69.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.0 -176.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.78 140.27 29.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -119.73 -27.93 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.01 162.8 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -150.91 -36.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' A' ' 18' ' ' ASP . 80.0 p -146.67 -29.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -57.87 10.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 t -82.55 4.32 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 21.7 t70 -100.4 168.69 9.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.2 62.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.586 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.636 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.636 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.525 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.438 ' HD1' HG22 ' A' ' 104' ' ' VAL . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.438 HG22 ' HD1' ' A' ' 100' ' ' HIS . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.556 ' HZ1' HD23 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.556 HD23 ' HZ1' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.99 -23.68 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.575 ' HZ2' ' HB3' ' A' ' 132' ' ' LYS . 2.7 mmmp? -71.6 -18.25 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -109.23 9.16 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.9 23.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.668 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -96.62 167.55 11.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.61 -55.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.59 143.42 37.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.99 178.77 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.5 123.83 16.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.37 -44.64 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.431 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -133.11 20.62 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m -59.35 -37.06 76.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.24 -25.33 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 146.52 52.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.51 113.32 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -95.68 162.64 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -72.14 110.66 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -115.89 148.21 40.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.4 m -151.72 -23.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.175 -179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.01 -18.69 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.3 m -138.33 16.82 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -134.82 -85.35 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.001 0.429 . . . . 0.0 111.224 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.4 6.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.819 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.423 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.486 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.483 HG22 ' HE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.483 ' HE2' HG22 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.467 HD13 ' HB1' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.491 ' HA ' HD11 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.88 -32.69 72.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -66.68 -28.47 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -82.51 -0.72 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -88.97 -31.5 12.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.592 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -118.34 115.57 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.501 -179.898 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.94 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.251 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.18 145.74 36.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.93 139.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.996 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -157.26 170.51 22.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.19 47.8 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.55 -62.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.2 t -102.67 -67.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -134.7 -168.55 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 174.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.43 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 58.36 -171.75 0.1 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -130.84 114.67 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 t80 59.75 -85.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -139.73 171.9 13.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 77.4 p -145.02 -15.78 0.51 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.08 34.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 35.6 t -129.92 18.04 5.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.53 -86.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.269 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' HB1' ' HB2' ' A' ' 15' ' ' SER . . . -67.09 -57.26 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.416 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.632 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' O ' HD22 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' HB3' HD23 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.4 ' HA ' ' NE2' ' A' ' 99' ' ' HIS . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.4 ' NE2' ' HA ' ' A' ' 96' ' ' THR . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.463 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.06 -25.24 67.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -63.17 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.6 -6.84 59.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -84.68 -41.06 7.91 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -126.32 -59.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.463 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -136.35 158.34 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.85 119.1 38.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 tp 61.02 105.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.74 151.54 28.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.66 95.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.552 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.73 120.71 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m 59.69 -179.78 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.254 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -83.45 156.83 22.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.27 97.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.258 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -105.78 164.54 11.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -156.5 101.88 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -89.85 -1.1 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -102.21 150.44 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -151.9 -57.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.94 -56.36 15.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -76.29 2.87 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -107.43 160.55 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.92 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.401 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HA ' HD22 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.559 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.559 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.87 -48.42 81.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -67.92 -24.2 65.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.842 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -98.7 7.01 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -101.16 7.27 56.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -122.55 -0.67 9.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.371 -179.9 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HE3' ' HA ' ' A' ' 1' ' ' MET . 5.3 tpt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -165.93 157.55 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.07 112.55 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -168.53 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.12 -176.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.43 -0.07 86.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.4 104.29 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.986 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -132.79 154.08 50.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.684 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -62.52 112.16 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.86 -56.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp 58.59 19.87 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 m -132.87 -32.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -77.02 -31.05 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.56 179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -82.01 108.94 15.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -163.14 -59.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB2' ' HE2' ' A' ' 100' ' ' HIS . . . -61.72 -55.19 32.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -88.39 10.04 21.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -104.93 167.7 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -22.82 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.499 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.486 HD21 ' H ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.529 ' HA ' HE21 ' A' ' 98' ' ' GLN . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 95' ' ' THR . 42.7 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.523 ' HE2' ' HB2' ' A' ' 16' ' ' ALA . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 101' ' ' LYS . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.488 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -62.03 -29.35 70.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.15 -36.13 77.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.93 0.58 30.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.076 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.26 -48.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.565 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 65.72 129.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.719 0.295 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.45 85.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 98.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.412 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -126.5 121.42 32.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -132.84 123.92 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.96 -179.82 53.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.684 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 -51.99 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.4 p -86.53 -177.21 6.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.3 t80 60.25 99.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.35 172.38 8.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.89 120.35 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -162.55 1.87 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 58.14 98.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -120.27 126.82 51.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.568 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.0 m -87.75 -41.16 13.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB2' HG21 ' A' ' 96' ' ' THR . . . -71.21 -4.39 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.579 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p -52.63 -80.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.24 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -173.88 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.153 0.502 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.05 -56.93 13.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.334 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HG2' HD12 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.618 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.485 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 HD12 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.417 HD21 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' HD21 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 16' ' ' ALA . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.475 ' HB ' ' HD1' ' A' ' 100' ' ' HIS . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.468 ' HA ' HD13 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.504 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.494 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.83 -21.75 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -66.85 -22.36 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.56 -23.99 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.24 -39.47 2.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.88 -28.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.505 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.85 -14.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.016 -179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.87 137.91 58.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.5 tp -119.75 -28.13 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.64 158.17 34.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.32 -34.28 1.8 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.609 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 44.3 tt0 -121.68 141.61 50.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.704 0.287 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -60.8 -27.29 67.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.609 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 78.3 t80 -89.39 121.31 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.63 168.48 21.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.95 169.51 8.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -100.34 176.46 5.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -93.17 164.05 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.798 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -107.72 -172.22 2.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.1 p -127.76 -33.16 2.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.49 73.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -84.0 -5.73 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -92.97 167.41 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.7 -22.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.347 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.43 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HA ' HD13 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 HD13 HD13 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.445 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.448 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.594 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD13 HD13 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD13 HD23 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HB3' HD13 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' C ' HD21 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' HA ' HG23 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HA ' HD11 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.69 -18.21 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -69.27 -17.46 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.078 179.842 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.42 -18.24 63.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.959 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.7 71.52 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.691 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -158.67 144.74 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.722 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.436 -179.94 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -130.27 154.07 47.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.863 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.07 -29.42 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.91 120.03 29.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.93 128.67 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.15 148.32 4.8 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.37 132.61 35.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -169.89 10.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -153.73 -173.27 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.87 122.45 11.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -128.63 -65.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.734 -179.743 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -79.03 125.83 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -95.95 -56.42 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -82.0 135.3 35.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m -146.69 -45.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.99 -7.78 5.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.452 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.8 t -122.04 18.87 10.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.43 -91.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.69 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.38 -56.91 11.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.794 -179.279 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' O ' HG21 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.413 ' HG2' HD12 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.413 HD12 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.464 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 111' ' ' MET . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.39 -27.51 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.96 -49.33 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -86.26 4.86 37.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.58 -35.55 36.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -82.03 131.73 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptm . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.722 0.296 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 58.8 100.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.044 179.837 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.18 -35.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 4' ' ' LEU . 1.8 pt? -144.09 152.22 40.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.55 104.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.44 147.47 17.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 59.49 96.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.871 0.367 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -85.78 143.46 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.01 -34.29 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.741 179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.2 119.81 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -112.14 -39.74 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.828 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 -178.24 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -69.48 -173.84 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.722 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -60.41 108.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.8 t -121.11 -71.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.45 -4.71 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.3 t -55.84 -75.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.32 -24.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.493 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.92 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.423 ' HH ' ' HB3' ' A' ' 68' ' ' GLU . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.538 ' HB3' HG23 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.538 HG23 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.423 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 HD22 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.404 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.474 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.79 -20.47 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -69.5 -12.82 61.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -87.04 -21.84 25.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -65.54 -68.21 1.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 59.34 96.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.533 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.44 -169.77 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -65.42 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.954 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 tp -108.6 -73.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.28 -25.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.19 -141.09 6.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.376 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.87 164.86 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 110.657 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 9' ' ' PHE . 43.4 t -136.83 170.25 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.497 ' H ' ' HG ' ' A' ' 8' ' ' SER . 88.6 m-85 58.1 -166.56 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.98 -169.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.269 179.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.24 168.39 11.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -148.28 105.68 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -142.51 -5.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.651 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -123.72 -0.22 8.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 19' ' ' ALA . 81.1 p -91.19 -20.51 21.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -57.99 -20.18 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -123.98 15.8 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -138.96 -86.27 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.207 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 15' ' ' SER . . . -68.57 -57.26 6.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.611 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 33' ' ' MET . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' HE2' ' HA ' ' A' ' 30' ' ' ASP . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 HG22 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.479 HD21 ' HB1' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 89' ' ' ASN . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.35 -29.69 70.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.16 -37.81 86.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -97.37 3.25 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -73.76 -27.4 67.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.727 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.31 102.23 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.762 0.315 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.951 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.09 -63.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.09 140.43 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.33 -11.24 60.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.45 14.2 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.96 99.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 57.71 63.26 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -152.43 119.27 5.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -77.91 -52.66 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.88 129.05 10.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -132.08 150.63 52.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 56.43 -171.27 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 58.16 96.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 t -134.26 -41.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -76.56 -30.44 57.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 -179.853 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -12.26 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.4 t -129.76 22.87 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.035 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -157.65 -86.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 111.74 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -57.05 7.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.067 -179.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 32' ' ' ILE . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 28' ' ' LEU . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HH ' ' NZ ' ' A' ' 132' ' ' LYS . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.769 HD21 ' H ' ' A' ' 92' ' ' ALA . 4.5 t30 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.769 ' H ' HD21 ' A' ' 89' ' ' ASN . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.05 -18.83 62.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.424 ' NZ ' ' HH ' ' A' ' 49' ' ' TYR . 11.0 mmmm -68.71 -25.7 64.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.7 -1.09 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -71.15 -72.9 0.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.596 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -73.93 123.82 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.496 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -97.03 164.73 12.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.96 168.18 0.11 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.39 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 56.87 -168.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.01 -45.16 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.8 163.66 19.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.39 2.74 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -75.8 -20.55 58.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.17 131.65 35.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.5 15.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.54 17.7 5.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -158.38 149.68 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.692 -179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.96 137.63 13.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -171.54 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.4 p -157.21 -20.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -60.26 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.226 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -74.85 -1.2 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.39 167.46 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.72 -22.82 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.623 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HZ1' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.502 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' O ' HD22 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm100 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.7 -28.94 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.629 ' HB3' ' HZ3' ' A' ' 132' ' ' LYS . 3.3 mmmp? -69.54 -24.62 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.026 -179.861 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -89.1 -1.45 58.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.97 29.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.774 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -77.13 160.39 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.577 179.948 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 60.14 93.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 -174.42 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.331 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 41.8 tp -155.04 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.551 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 44.1 mt-10 -122.12 158.14 29.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.87 133.67 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.597 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -100.65 -3.89 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 61.86 97.25 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -153.26 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.58 12.78 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.297 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.94 115.73 3.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -152.6 110.21 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -134.97 -177.52 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -118.13 154.21 32.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -152.42 -27.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 96' ' ' THR . . . -66.44 -27.99 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.8 p -111.0 12.68 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.703 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.66 -170.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.5 65.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.625 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' HG2' HG22 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.474 HG22 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.629 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.629 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HA ' HE21 ' A' ' 83' ' ' GLN . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.7 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.416 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' HA ' HE21 ' A' ' 98' ' ' GLN . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.466 HG21 ' HB3' ' A' ' 16' ' ' ALA . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 95' ' ' THR . 47.7 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.468 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.39 -22.88 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.44 -38.27 89.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.1 -3.38 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.57 68.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.72 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.445 -179.843 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -134.39 5.96 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.58 112.04 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -125.64 -28.92 3.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.93 118.79 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.6 -43.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.396 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.73 137.98 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.5 m -152.06 96.46 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -132.96 -12.98 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.53 -18.36 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.014 179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 11' ' ' LEU . 6.6 mp -108.49 -57.66 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -99.5 124.95 45.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.51 -18.02 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m 59.12 15.76 4.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.6 m -151.14 -34.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 -51.54 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -92.87 23.91 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.68 -177.6 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.24 67.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.243 179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.474 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.519 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.4 HG21 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 111' ' ' MET . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.14 -30.52 71.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -69.55 -20.18 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -96.96 1.68 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.94 22.54 3.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.624 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -148.89 113.97 5.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 111.02 179.917 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.498 179.794 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.75 -44.39 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.37 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -120.25 8.99 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.015 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.49 168.06 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.71 160.88 26.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.0 tt0 -139.43 149.4 44.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.658 0.266 . . . . 0.0 110.672 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -76.89 6.48 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 63.3 m-85 61.81 97.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.31 127.09 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.5 mt -127.43 105.69 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -145.98 151.57 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -69.72 144.19 52.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 16' ' ' ALA . 33.9 t -154.21 19.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.736 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p 62.82 0.8 0.73 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.405 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 14' ' ' SER . . . -81.35 -32.73 32.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 179.779 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 t -100.95 -4.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.955 179.233 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -87.18 171.93 10.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -23.34 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.559 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' O ' HD21 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.08 -18.28 60.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -66.11 -31.62 72.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.34 1.49 57.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.0 7.44 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -148.77 132.01 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.071 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.488 179.938 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.22 151.0 20.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.53 14.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.0 mp 58.56 -171.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.81 104.73 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.8 158.09 34.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.21 111.94 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -127.39 -13.05 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -65.16 144.26 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.3 -25.38 14.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.15 152.31 21.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -88.9 178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -60.23 -76.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.5 p -170.97 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.6 t -170.33 -35.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.31 42.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.401 -179.822 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.51 ' HG ' HG21 ' A' ' 96' ' ' THR . 50.8 m -129.25 19.13 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 -179.908 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.01 -88.56 0.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.329 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.82 7.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.484 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.4 mm100 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.51 HG21 ' HG ' ' A' ' 17' ' ' SER . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.428 ' HA ' HG11 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 HG11 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' HD11 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.407 HD11 ' HB1' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -75.55 -23.41 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.39 0.88 15.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.23 -11.37 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 122.27 -66.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.456 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -165.15 146.13 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.592 -179.83 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.49 -12.01 35.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.07 -169.8 0.13 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.313 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.3 167.58 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.66 -63.03 0.22 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.04 -151.49 18.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.95 167.66 21.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -103.55 -60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -143.71 -61.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 101.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 11' ' ' LEU . 5.7 mp -117.54 156.26 28.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.803 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -84.48 -1.75 56.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -85.73 126.72 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -120.71 139.52 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -111.77 -28.84 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -62.67 -10.13 11.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.337 -179.854 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -126.1 18.4 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.872 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -148.64 -88.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.357 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.77 -57.21 5.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.651 -179.593 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.438 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -24.57 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -69.5 -29.17 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.711 -179.827 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.11 -12.35 61.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.996 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 156.82 -70.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -156.24 11.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.884 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.767 0.318 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.69 126.79 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 -3.25 58.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.1 mt -92.66 5.69 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.74 -27.37 44.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.64 -10.74 6.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -110.82 128.5 55.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -167.71 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.89 124.47 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.15 -9.25 46.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.5 mt 58.48 17.97 5.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -122.34 109.15 14.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 58.37 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t 58.43 106.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.947 0.403 . . . . 0.0 111.41 179.835 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -137.0 -20.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -75.72 -39.65 56.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.368 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.2 p -90.57 16.59 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.38 178.29 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.019 0.438 . . . . 0.0 111.293 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.75 -23.13 67.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.301 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.545 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 25' ' ' VAL . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 24' ' ' VAL . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.48 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.42 HD13 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.408 HG13 HD23 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.09 -23.47 65.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.27 -13.64 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -100.66 0.69 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -94.37 -30.91 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.0 155.07 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.39 179.899 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.09 -62.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.9 -6.9 56.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.35 -15.15 41.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.018 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -88.23 103.22 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.21 174.99 39.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.13 100.42 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 t -157.6 -33.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 56.97 -169.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.02 -5.31 3.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.46 171.68 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -134.07 -6.71 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -117.79 140.05 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -152.27 149.12 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.785 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 m -95.23 -11.13 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 -4.6 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.39 -179.82 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 m -48.91 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -171.45 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 111.221 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.18 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.609 -179.532 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.431 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.564 ' HD1' HG23 ' A' ' 104' ' ' VAL . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 100' ' ' HIS . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.47 -32.55 72.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.85 -39.95 94.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.06 -9.34 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.69 -26.1 68.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 53.9 95.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.566 179.966 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.718 0.294 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.04 -44.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.95 -85.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.474 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.33 108.19 6.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.98 -25.98 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.78 169.45 13.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.2 -70.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -163.73 -12.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 59.39 -175.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.22 14.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 59.68 -174.35 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t 62.15 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 65.82 136.4 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p 47.6 85.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.375 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -170.46 -61.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -19.45 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.715 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 t -132.98 28.48 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -156.94 -81.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.96 0.409 . . . . 0.0 111.383 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.95 7.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.497 -179.613 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.525 HG12 ' HE3' ' A' ' 111' ' ' MET . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.443 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HA ' HG11 ' A' ' 104' ' ' VAL . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 101' ' ' LYS . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB1' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.525 ' HE3' HG12 ' A' ' 32' ' ' ILE . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -55.06 -44.7 74.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -20.96 60.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.723 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -94.0 7.29 45.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.47 -23.55 1.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -80.0 -31.94 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.61 -179.852 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.724 0.297 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 62.11 169.53 0.12 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 14.72 25.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.364 -179.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.46 18.55 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.333 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.81 142.77 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.55 -18.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.48 -53.55 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.7 p -83.09 138.3 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.34 150.54 39.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 174.5 7.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -153.24 -14.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -85.47 110.76 19.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -130.06 116.2 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 30.5 p 47.64 -97.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.237 -179.863 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 111.611 179.675 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -56.81 -40.76 76.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.347 -179.841 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.9 p -96.59 24.66 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 23.0 t70 -132.85 171.17 14.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.5 -23.34 15.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.565 179.887 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD11 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD11 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.435 ' HG3' ' HH ' ' A' ' 76' ' ' TYR . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD22 HD12 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HH ' ' HG3' ' A' ' 36' ' ' GLU . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.447 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.476 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.476 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -56.03 -44.51 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -17.27 60.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.64 -4.27 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.28 53.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 135' ' ' ARG . 5.5 tpm_? -88.22 140.55 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.473 ' H ' ' HE ' ' A' ' 135' ' ' ARG . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.572 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -135.76 -66.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.8 -27.41 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD11 ' N ' ' A' ' 4' ' ' LEU . 6.4 mp -86.99 172.81 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 61.59 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 99.2 0.84 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.526 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.1 tt0 -133.78 116.18 15.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.6 p -82.06 11.79 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 89.5 m-85 59.89 -174.87 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.38 141.51 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -89.93 163.53 14.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.94 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -92.29 118.01 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -62.58 139.95 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.7 m -65.58 165.17 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 80.2 p -143.86 -40.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' SER . . . -64.79 -54.08 36.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -93.81 4.04 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.45 168.3 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.967 -179.836 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.48 -22.49 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.566 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HA ' HD11 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG12 ' HE1' ' A' ' 111' ' ' MET . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.541 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD12 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.465 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.422 ' HB2' HD11 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.478 ' HE1' HG12 ' A' ' 32' ' ' ILE . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.9 -15.32 63.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.34 -2.2 24.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -95.96 -11.02 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.605 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -143.17 6.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.247 179.744 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.33 -35.23 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.42 106.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.74 138.4 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -135.93 -21.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.85 109.52 2.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.95 116.79 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 t -156.61 144.72 19.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -126.1 -60.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.0 139.15 17.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.9 mm? -99.38 -177.55 3.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -75.13 -171.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.8 -172.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -78.45 117.91 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HG ' ' HB3' ' A' ' 19' ' ' ALA . 44.0 t -156.26 -31.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.17 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -122.11 16.85 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -137.6 -92.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.333 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' HB3' ' HG ' ' A' ' 15' ' ' SER . . . -68.41 -57.15 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.839 -179.54 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG11 ' A' ' 24' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 HG11 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 28' ' ' LEU . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.51 HD11 HD23 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.445 HD21 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HB2' HD12 ' A' ' 85' ' ' ILE . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' ND2' ' HB1' ' A' ' 92' ' ' ALA . 1.6 p-10 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.478 ' HB1' ' ND2' ' A' ' 89' ' ' ASN . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.28 -22.38 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -71.48 -14.97 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.03 -13.54 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.757 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.14 -7.53 30.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -162.77 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 58.08 19.0 5.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.246 179.965 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.21 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.406 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 mp -84.32 172.28 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.09 145.62 29.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.76 70.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -143.59 110.57 5.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -124.54 167.52 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.774 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.64 125.99 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.52 134.93 39.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.83 -55.43 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -67.37 171.11 6.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -84.49 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -58.28 148.77 26.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 49.1 m -153.67 -23.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.029 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -55.61 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -83.72 6.94 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 5.5 m-20 -103.13 174.84 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.89 -23.44 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.417 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG12 ' HE2' ' A' ' 111' ' ' MET . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.547 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.646 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' HA ' HD11 ' A' ' 112' ' ' LEU . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.408 ' HE2' HG12 ' A' ' 32' ' ' ILE . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 109' ' ' PHE . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.547 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.18 -29.46 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -71.0 -10.41 59.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.24 -12.35 61.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.745 179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.46 -53.32 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -162.08 -58.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.916 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -98.1 149.13 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.99 112.62 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -155.61 125.51 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.61 0.85 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.16 90.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -111.38 108.91 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.94 -179.79 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.5 p -91.02 -61.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 179.864 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -142.73 114.54 8.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.07 -70.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -154.33 111.16 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -66.74 -55.62 14.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -168.27 -70.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 t -166.27 -64.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -134.89 -16.59 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 -4.24 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -46.57 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -170.78 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -26.79 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.856 -179.366 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.45 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.665 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.665 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.497 ' HB3' HD13 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.497 HD13 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.544 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.84 -30.59 70.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -62.33 -44.73 95.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 3.84 51.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.24 -61.04 7.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -93.46 106.2 18.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.422 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 24' ' ' VAL . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' GLU . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 119' ' ' LEU . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 72' ' ' LEU . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 69' ' ' TYR . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.415 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.441 HD11 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB2' HD12 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' HG22 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.406 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 122' ' ' LYS . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' SER . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.718 0.294 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE1' HG21 ' A' ' 73' ' ' VAL . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 69' ' ' TYR . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.4 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 45' ' ' MET . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 95' ' ' THR . 11.3 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 113' ' ' LEU . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB3' HH11 ' A' ' 42' ' ' ARG . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 41' ' ' GLN . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.573 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 78.4 mm-40 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 94' ' ' THR . 76.9 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.746 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 24' ' ' VAL . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' HG3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.681 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 71.4 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.735 0.302 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 81' ' ' LEU . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 28' ' ' LEU . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.6 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 105' ' ' ALA . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.419 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD13 HG12 ' A' ' 24' ' ' VAL . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.595 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.429 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.717 0.294 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 73' ' ' VAL . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 40' ' ' LEU . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 69' ' ' TYR . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 28' ' ' LEU . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.488 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.681 0.277 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' PHE . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 73' ' ' VAL . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD11 HD21 ' A' ' 28' ' ' LEU . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 43.5 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.083 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.481 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.408 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 69' ' ' TYR . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.646 0.26 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CE1' HG21 ' A' ' 73' ' ' VAL . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.576 0.227 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 HD11 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' HG3' ' A' ' 79' ' ' GLU . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' ' HD3' ' A' ' 75' ' ' LYS . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.678 0.275 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.653 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' SER . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.5 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.5 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.688 0.28 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HE1' HG21 ' A' ' 65' ' ' ILE . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HE1' ' A' ' 52' ' ' PHE . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 73' ' ' VAL . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.762 0.315 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 13.2 mm100 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.669 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.669 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.443 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.623 0.249 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' HZ ' ' HG ' ' A' ' 97' ' ' LEU . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 21' ' ' PHE . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.447 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.569 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 92.2 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.603 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 97' ' ' LEU . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.433 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.779 0.323 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 11.9 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 101' ' ' LYS . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.666 0.27 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 16.2 mm100 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' HD13 ' A' ' 126' ' ' LEU . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 HD11 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD11 HD21 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' PHE . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 72' ' ' LEU . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HD3' HD12 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' HD3' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 73' ' ' VAL . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 75.6 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 97' ' ' LEU . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.409 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 100' ' ' HIS . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' PHE . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.507 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HZ2' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.542 HD21 ' HZ2' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.445 HG21 ' CE1' ' A' ' 69' ' ' TYR . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' NE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.425 ' NE2' HG23 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 126' ' ' LEU . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 122' ' ' LYS . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.72 0.295 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 HG11 ' A' ' 104' ' ' VAL . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 69' ' ' TYR . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB3' HD22 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG11 HG21 ' A' ' 25' ' ' VAL . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' HD13 ' A' ' 126' ' ' LEU . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.707 0.289 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 81' ' ' LEU . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HD23 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' O ' HG12 ' A' ' 70' ' ' ILE . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 28' ' ' LEU . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.568 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' PHE . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 61' ' ' ILE . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.7 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HB2' HD12 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG2' HD13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' SER . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.534 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.456 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.626 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 110' ' ' ASP . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 69' ' ' TYR . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 110' ' ' ASP . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.605 ' HB3' HG22 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.675 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 73' ' ' VAL . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 69' ' ' TYR . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.487 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.689 0.281 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 81' ' ' LEU . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' HG23 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 HG23 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE1' HG21 ' A' ' 73' ' ' VAL . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 72' ' ' LEU . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 28' ' ' LEU . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 97' ' ' LEU . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CE1' HG21 ' A' ' 73' ' ' VAL . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 78.6 mm-40 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 94' ' ' THR . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.641 0.258 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.509 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.637 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE1' HG21 ' A' ' 73' ' ' VAL . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 69' ' ' TYR . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.705 0.288 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' VAL . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 82' ' ' LEU . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' HD13 ' A' ' 126' ' ' LEU . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 122' ' ' LYS . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.682 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 105' ' ' ALA . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.741 0.305 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.2 mm-40 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.689 0.281 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 72' ' ' LEU . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 40' ' ' LEU . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.657 0.265 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 25' ' ' VAL . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 21' ' ' PHE . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' PHE . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 72' ' ' LEU . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.461 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HB2' HG22 ' A' ' 61' ' ' ILE . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 73' ' ' VAL . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.568 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 69' ' ' TYR . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 92.9 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.456 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.71 0.29 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 28' ' ' LEU . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 47' ' ' LYS . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.619 0.247 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 34' ' ' ASP . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 69' ' ' TYR . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.669 0.271 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 21' ' ' PHE . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 97' ' ' LEU . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 126' ' ' LEU . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 72' ' ' LEU . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.476 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CE1' HG21 ' A' ' 73' ' ' VAL . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 69' ' ' TYR . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.573 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.678 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.1 mm-40 -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HB3' HD12 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.825 0.345 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -153.98 137.52 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.42 173.3 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -127.17 105.98 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -130.38 126.83 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.7 81.78 0.04 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.91 -60.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -95.45 -0.86 51.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.055 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -71.61 118.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.05 160.5 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.368 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.09 -64.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.681 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -153.14 -28.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.19 111.04 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -99.17 133.73 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 t -165.83 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.23 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -70.31 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -167.3 -18.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.81 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 24' ' ' VAL . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' GLU . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 119' ' ' LEU . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.26 -24.66 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -68.99 -26.83 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.54 -0.53 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.63 90.17 0.15 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -163.05 132.65 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -144.76 -26.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.28 -173.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.425 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.0 mp -87.55 -18.81 28.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -111.88 149.42 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.11 154.38 28.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.469 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.28 131.35 36.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.715 0.293 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t 64.68 153.49 0.06 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.09 145.21 43.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.81 157.04 17.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.7 pt? -69.53 140.15 53.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 13' ' ' PHE . 46.9 t -164.14 -6.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' H ' ' H ' ' A' ' 12' ' ' SER . 77.4 m-85 -113.44 -74.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -102.63 -172.14 2.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -144.95 -33.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -67.7 -24.56 65.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -105.13 -6.91 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.168 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.13 -174.11 3.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.6 65.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 72' ' ' LEU . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 69' ' ' TYR . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.415 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.441 HD11 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB2' HD12 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -74.86 -28.16 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' HB3' ' NZ ' ' A' ' 132' ' ' LYS . 4.0 mmmp? -63.7 -32.47 73.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.21 -8.73 57.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -87.27 49.04 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.34 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 59.7 100.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.575 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -99.37 142.58 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.32 -13.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.2 mp -97.04 128.86 44.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.72 -35.83 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.43 174.0 27.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.585 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.9 -83.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 111.213 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -63.72 166.73 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -67.23 141.76 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.07 175.04 9.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 2.6 pp -85.27 11.1 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.401 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -88.72 139.25 30.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -131.55 -40.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -140.75 179.66 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 47.9 m -88.66 3.26 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.47 -4.61 4.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 49.0 m -67.85 0.59 3.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' SER . 6.6 m-20 75.13 -38.54 0.38 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.488 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.28 -52.89 28.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' SER . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' HG22 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.406 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 122' ' ' LYS . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.13 -26.59 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.26 -17.84 64.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.19 -26.98 60.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.47 66.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.37 -0.39 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.996 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.438 -1.201 . . . . 0.0 112.514 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.768 0.318 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.94 -0.52 57.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 152.23 11.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 5' ' ' GLU . 10.0 tt -98.23 -37.15 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' HB2' HD23 ' A' ' 4' ' ' LEU . 2.7 tm-20 -158.33 -32.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.97 111.72 2.12 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.669 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.14 -27.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.527 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -129.03 -172.64 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -61.0 114.88 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.86 -71.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.9 mt 56.45 31.04 18.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -67.7 -71.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.52 149.49 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.998 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -150.7 -178.32 6.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' SER . 40.4 m 74.88 -43.8 0.53 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.799 0.687 . . . . 0.0 111.711 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -57.79 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -96.04 22.05 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.28 -174.89 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -23.31 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' SER . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -22.82 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -68.33 -17.51 64.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.05 -5.59 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -103.01 34.01 6.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -77.38 -31.17 54.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.524 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 58.72 95.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.52 1.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.5 pt? -119.89 -18.99 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -91.85 -18.01 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.06 179.95 45.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.632 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.92 -175.25 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.7 0.286 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.3 m -130.53 -65.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.171 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 60.25 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.37 154.56 23.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.98 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -70.01 114.32 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -109.77 153.38 24.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 t80 60.68 106.42 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.257 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -103.94 114.74 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -124.2 -36.4 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -75.58 -28.06 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.272 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.8 t -101.23 0.32 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.762 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -104.12 176.9 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.57 50.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.397 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE1' HG21 ' A' ' 73' ' ' VAL . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 69' ' ' TYR . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.4 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 16' ' ' ALA . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.88 -26.35 67.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.09 -21.69 64.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -79.09 -1.01 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.03 57.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.19 -31.82 26.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.794 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -134.49 121.22 20.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.12 -177.99 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.4 pt? -81.97 -6.85 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.11 -173.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.91 161.09 30.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -128.99 104.49 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -130.15 -33.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 108.49 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -136.5 -175.13 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.6 m -65.54 -51.49 59.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -96.21 94.55 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 16' ' ' ALA . 44.7 t -169.28 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 42.3 t 67.63 -8.87 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.655 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' SER . . . -55.38 -30.55 60.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -54.08 142.28 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.83 -25.69 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -57.16 6.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.936 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 45' ' ' MET . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 95' ' ' THR . 11.3 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 113' ' ' LEU . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.42 -23.41 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -63.69 -23.18 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.27 -24.14 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.49 33.22 86.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 58.88 18.33 6.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.492 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -130.96 -39.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.61 144.82 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.0 tp -83.42 -70.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.74 -37.54 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.93 89.89 0.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.179 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.88 108.55 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.046 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.0 p -163.26 118.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 59.28 101.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.97 -33.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -99.05 170.27 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -148.75 -5.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 63.8 156.85 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.239 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -171.33 -169.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m 65.47 -79.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.95 -16.59 7.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.585 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.4 m -130.41 24.99 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -153.95 -84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.12 -57.25 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB3' HH11 ' A' ' 42' ' ' ARG . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 41' ' ' GLN . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.573 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 78.4 mm-40 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 94' ' ' THR . 76.9 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.7 -29.65 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 3.7 mmmp? -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.58 -29.87 70.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.77 -37.55 3.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -89.85 142.72 27.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.556 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.747 0.308 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -134.5 140.36 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.1 130.85 14.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 -2.94 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.45 145.94 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.41 -55.75 0.53 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.91 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -105.45 131.34 52.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t 59.21 99.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.76 -52.96 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 130.27 42.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -75.25 -11.15 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -77.26 161.73 27.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -97.14 7.68 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 m -77.89 111.39 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -79.28 -16.73 55.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.22 30.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.293 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -86.36 9.04 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -103.17 167.1 10.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -23.39 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.37 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 24' ' ' VAL . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' HG3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.681 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 71.4 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.88 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 4.3 mmmp? -63.34 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.156 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.1 3.87 24.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.44 60.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.54 178.54 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.55 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.69 -58.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 155.12 33.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.5 pt? -67.37 173.33 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -104.24 -46.62 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.24 24.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.375 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.48 179.66 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -116.03 142.71 46.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -66.31 166.79 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.84 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.3 mp -92.22 111.0 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -102.49 152.95 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.81 -19.52 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -76.49 113.91 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -150.88 -27.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.95 44.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 t -120.44 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.35 -95.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.94 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.589 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 81' ' ' LEU . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 28' ' ' LEU . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 98.6 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 105' ' ' ALA . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.419 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.73 -17.65 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.07 -4.24 27.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.4 -22.81 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.91 -14.1 21.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 58.08 91.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.797 0.332 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.26 163.26 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.41 -51.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.673 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.6 pt? -124.2 2.89 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -140.79 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.55 -156.25 17.78 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -88.45 -174.54 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.745 0.307 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.47 114.63 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -120.2 -174.19 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.35 178.96 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.58 116.68 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -157.66 150.38 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.58 -60.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -145.36 -174.83 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 26.53 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -63.77 -9.19 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.8 p -120.31 4.45 10.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.171 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -130.71 -93.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.243 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 -57.38 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.619 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD13 HG12 ' A' ' 24' ' ' VAL . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.595 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.73 -28.11 69.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -69.6 -8.2 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.51 4.0 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.61 12.83 4.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -72.31 -62.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 tpp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -111.61 -174.0 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.23 16.88 5.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -127.72 -34.61 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.05 112.0 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.91 -158.93 21.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.52 167.34 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.5 p -147.88 101.02 3.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -140.85 -10.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.38 17.05 6.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.388 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -103.72 115.02 29.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -168.74 125.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.6 -64.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 49.0 m -80.47 -31.22 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 m 62.95 -83.3 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.228 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -23.77 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.441 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' SER . 57.6 m -119.88 22.52 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 14.5 t70 -148.0 -89.59 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.32 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 73' ' ' VAL . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 40' ' ' LEU . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 69' ' ' TYR . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 28' ' ' LEU . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.488 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.94 -23.6 65.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 132' ' ' LYS . 1.4 mmmp? -68.01 -26.59 65.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -87.34 -7.97 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.54 52.65 4.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.45 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -129.05 -63.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.38 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -82.01 -59.71 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.73 139.82 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.1 tp -102.11 -44.27 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -135.47 -25.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.9 172.25 19.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -106.37 -25.54 11.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -56.71 -27.77 59.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.79 117.59 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.86 129.56 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.333 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.76 6.41 36.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -86.08 137.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.11 127.44 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.755 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -69.84 127.92 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 m -147.87 -22.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -72.74 -30.26 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.9 p -100.42 12.31 37.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -118.07 -176.37 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.048 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.25 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' PHE . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 73' ' ' VAL . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD11 HD21 ' A' ' 28' ' ' LEU . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 43.5 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.6 m80 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.07 -22.22 64.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.71 -6.42 48.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.14 -6.1 58.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.42 -0.96 40.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.88 119.77 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.57 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -110.22 159.67 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.18 127.61 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.04 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.89 161.56 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.25 178.26 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.77 137.08 5.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.92 -1.0 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.713 0.292 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m 56.64 -170.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -66.79 157.63 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 178.71 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.281 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.58 -29.43 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -86.95 159.78 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -127.69 118.54 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 15' ' ' SER . 43.4 t -134.07 -52.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 14' ' ' SER . 49.4 m 74.13 -38.79 0.41 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.713 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -83.69 -4.42 58.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.652 0.263 . . . . 0.0 111.517 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -120.83 23.27 10.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.604 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.42 -168.69 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.09 44.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.05 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.481 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.408 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 69' ' ' TYR . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.98 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.86 -30.03 69.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.98 13.27 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.014 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.73 67.72 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -144.68 120.83 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -129.47 135.55 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.84 -168.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -85.94 2.14 47.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.36 173.35 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.07 56.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.407 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 62.67 -82.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -111.07 131.46 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -153.42 -45.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 161.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.2 mt -97.56 142.95 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 p -109.96 127.58 54.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -147.74 3.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -81.94 6.23 16.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.7 p -154.33 -31.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.53 -55.15 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -80.72 5.81 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.54 176.31 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.01 -23.45 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.51 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CE1' HG21 ' A' ' 73' ' ' VAL . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -23.21 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -18.71 63.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 110.47 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.76 -24.93 59.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.9 88.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.554 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -67.32 169.58 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.472 -1.182 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -120.24 176.01 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 101.27 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 mt -112.11 -61.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.02 140.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.73 -91.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.577 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -78.8 170.43 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 t -82.55 -26.59 32.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -89.08 131.44 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.18 3.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.045 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt 59.96 174.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.2 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -98.01 4.64 49.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 62.84 -84.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p 49.15 33.68 5.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.3 p -145.13 -39.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -97.74 10.22 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.0 -172.25 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.67 65.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 HD11 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' HG3' ' A' ' 79' ' ' GLU . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' ' HD3' ' A' ' 75' ' ' LYS . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.437 HG21 ' HB1' ' A' ' 16' ' ' ALA . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -28.17 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.26 -24.45 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -78.09 -6.18 53.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -72.03 -31.27 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.811 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -120.18 -15.34 8.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.736 0.303 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.792 0.33 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -111.55 -70.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.11 -2.63 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.79 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.81 99.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.67 -73.69 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.12 112.94 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -162.2 -29.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -101.24 136.27 41.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.65 116.28 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.7 16.6 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -56.86 154.55 9.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.67 149.0 40.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -98.46 172.74 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 18' ' ' ASP . 79.2 p -69.92 -18.47 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.77 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.33 -58.95 6.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.1 p -81.32 5.48 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.793 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 21.7 t70 -98.02 167.93 10.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -23.3 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.1 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.82 72.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.71 0.29 . . . . 0.0 111.193 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -4.9 37.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.95 59.11 9.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.434 ' N ' ' HD2' ' A' ' 135' ' ' ARG . 9.6 mpt_? 60.87 102.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.878 0.371 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.629 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.42 -28.39 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.11 136.08 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.6 pt? -59.37 137.84 57.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 58.79 -175.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.01 -157.94 10.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.386 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.16 179.28 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -75.38 125.63 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -75.75 168.35 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.1 -179.0 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.6 pt? -59.7 143.74 49.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -76.61 115.91 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 61.79 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 17' ' ' SER . 49.4 m -154.69 -174.35 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -122.19 -53.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.26 -4.99 24.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -57.58 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -172.23 -24.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.245 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -57.47 6.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.653 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' SER . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.5 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.5 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -66.52 -20.43 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.52 -12.0 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -96.06 1.07 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.79 -74.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -93.05 1.29 57.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 tpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 58.42 22.15 9.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.65 16.56 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.24 -2.43 24.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.44 -170.85 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.06 -155.8 25.91 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -135.49 117.11 14.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.814 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.2 t -162.13 -22.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.767 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 58.92 19.1 6.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 179.84 4.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.6 pt? -162.27 -179.21 6.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.874 0.369 . . . . 0.0 111.099 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t 59.35 103.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -138.83 103.74 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -154.48 -63.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.4 m -91.43 -37.55 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.57 5.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.354 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -55.08 138.13 44.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.422 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.18 -23.57 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.068 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.4 5.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HE1' HG21 ' A' ' 65' ' ' ILE . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HE1' ' A' ' 52' ' ' PHE . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 73' ' ' VAL . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.48 -29.55 70.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -68.07 -31.92 71.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -92.74 -0.45 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -64.93 -79.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.733 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -98.02 156.85 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.576 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -142.66 7.36 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.95 -10.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.31 115.61 28.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -156.18 -16.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.59 121.79 27.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.406 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.51 139.65 33.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -104.9 -39.6 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.75 178.48 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.16 154.51 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.46 111.23 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -134.14 -23.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.0 158.22 15.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -85.42 121.31 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 49.4 m -126.47 -44.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.86 -4.69 39.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.204 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -54.25 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -171.38 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.53 5.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.443 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.03 -24.91 67.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.43 -48.82 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.77 2.07 24.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.97 -54.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -166.96 -64.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.429 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.62 -31.84 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.733 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.63 138.12 39.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp 58.71 97.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.63 138.95 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.81 -170.9 27.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.366 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 166.96 22.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.7 m -84.7 132.79 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.764 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -80.47 155.23 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.27 141.66 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt 60.04 -179.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -132.93 154.4 50.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -113.6 -0.02 14.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -94.06 111.36 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -140.06 -41.81 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.61 76.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -96.95 14.05 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.456 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -109.06 172.11 7.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . -58.64 -23.74 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.266 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 13.2 mm100 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.669 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.669 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.443 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.85 -34.07 74.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -61.78 -25.38 67.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -81.44 -29.49 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.33 -30.67 8.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.551 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -98.69 114.45 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -162.78 13.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.78 150.4 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.85 158.76 18.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 62.21 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.125 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.86 96.75 1.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -126.87 -172.04 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.306 . . . . 0.0 110.816 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.38 122.45 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -63.22 124.21 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.08 154.9 26.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -155.23 123.12 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -137.07 146.0 44.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.61 161.66 23.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.6 p -117.28 172.21 7.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 9.6 t -168.91 -162.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.568 -179.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -62.26 -20.32 64.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.42 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -104.49 20.25 18.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.648 ' HB2' ' H ' ' A' ' 15' ' ' SER . 5.2 m-20 -137.14 -164.64 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.74 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.645 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 21' ' ' PHE . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.447 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.569 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 92.2 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.603 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 97' ' ' LEU . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.433 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.56 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -70.9 -14.43 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.88 -6.3 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.89 -39.95 3.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -155.89 117.51 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.539 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.34 -64.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.0 -4.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.924 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.41 136.16 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.45 131.47 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.59 78.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -105.67 -13.22 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -76.84 161.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -160.62 143.38 13.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.78 -36.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 13' ' ' PHE . 6.9 tt 60.56 97.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -105.51 24.34 12.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' H ' HD23 ' A' ' 11' ' ' LEU . 13.3 t80 63.06 10.58 4.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.868 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -99.07 146.28 26.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 76.1 p -92.05 -39.34 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 -4.54 25.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.412 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -50.81 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -175.27 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.43 38.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.571 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 11.9 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 101' ' ' LYS . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.75 -21.71 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.82 -19.06 64.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.1 -27.62 67.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.1 17.0 28.66 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -90.08 -9.74 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.464 179.911 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -109.39 -47.52 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.337 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -89.08 138.4 31.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.29 -20.9 13.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.06 67.59 0.2 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.77 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.36 -35.2 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t -104.23 8.77 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.61 137.84 42.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.065 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.87 90.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.4 mt -136.09 -174.48 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 m -107.37 126.29 52.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.704 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -127.6 -6.03 5.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.095 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -161.58 114.64 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 t -165.74 -81.65 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -81.54 -41.95 20.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.411 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -85.48 27.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -139.64 170.12 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.22 43.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.513 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 16.2 mm100 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' HD13 ' A' ' 126' ' ' LEU . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.81 -25.88 68.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.73 -28.5 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.763 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.9 -0.97 57.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.02 -52.23 5.84 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.655 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -92.15 140.91 29.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.467 179.914 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -79.38 -172.16 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.84 -27.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -95.35 124.6 39.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -128.62 -5.08 5.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.38 159.85 24.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.648 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -137.36 -64.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -157.73 162.25 38.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -136.42 109.23 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 105.32 3.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.32 -171.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.0 m 61.05 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -59.08 102.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -155.66 154.44 31.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 m -117.9 -56.86 2.15 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -54.35 -20.01 6.53 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -119.02 -172.26 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 57.78 -165.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.02 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.25 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 HD11 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD11 HD21 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.625 HG21 ' HB1' ' A' ' 16' ' ' ALA . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.67 -17.07 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 132' ' ' LYS . 3.4 mmmp? -63.75 -33.95 76.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.814 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.28 -8.92 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.23 -63.08 2.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.391 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 60.55 178.53 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.571 179.949 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.93 -27.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.46 112.2 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.7 mp -97.39 160.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -160.02 126.67 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.57 90.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.69 -27.71 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -97.26 127.48 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -141.19 123.77 15.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.754 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 110.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.05 -69.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -163.37 -57.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.66 91.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -147.34 119.0 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.75 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.511 ' HB3' ' H ' ' A' ' 20' ' ' GLU . 48.1 t -132.12 87.8 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.69 -7.52 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.992 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.0 p -60.85 -62.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -175.01 -19.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.366 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -58.34 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 -179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' H ' ' HB3' ' A' ' 15' ' ' SER . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' PHE . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 72' ' ' LEU . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HD3' HD12 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' HD3' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 73' ' ' VAL . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 75.6 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 97' ' ' LEU . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.409 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 100' ' ' HIS . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.59 -33.72 74.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -68.88 -25.74 64.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.79 -6.88 55.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.79 105.19 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -61.81 134.88 57.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.528 179.897 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.739 0.304 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -133.0 -4.39 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.72 -66.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.7 tp -105.55 130.34 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -105.89 150.97 25.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.32 -88.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.27 148.32 22.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.144 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.6 p -143.18 -3.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -68.75 -31.06 69.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.0 -176.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.78 140.27 29.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -119.73 -27.93 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.01 162.8 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -150.91 -36.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 18' ' ' ASP . 80.0 p -146.67 -29.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -57.87 10.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 t -82.55 4.32 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 21.7 t70 -100.4 168.69 9.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.2 62.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.586 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' PHE . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.507 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HZ2' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.542 HD21 ' HZ2' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.99 -23.68 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 2.7 mmmp? -71.6 -18.25 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -109.23 9.16 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.9 23.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.668 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -96.62 167.55 11.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.61 -55.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.59 143.42 37.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.99 178.77 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.5 123.83 16.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.37 -44.64 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.431 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -133.11 20.62 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m -59.35 -37.06 76.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.24 -25.33 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 146.52 52.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.51 113.32 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -95.68 162.64 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -72.14 110.66 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -115.89 148.21 40.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 59.4 m -151.72 -23.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.175 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.01 -18.69 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.3 m -138.33 16.82 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -134.82 -85.35 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.001 0.429 . . . . 0.0 111.224 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.4 6.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.819 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' SER . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.427 ' SD ' ' N ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.445 HG21 ' CE1' ' A' ' 69' ' ' TYR . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' NE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' NE2' HG23 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 126' ' ' LEU . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 122' ' ' LYS . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.88 -32.69 72.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -66.68 -28.47 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -82.51 -0.72 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -88.97 -31.5 12.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.592 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -118.34 115.57 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.501 -179.898 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.94 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.251 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.18 145.74 36.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.93 139.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.996 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -157.26 170.51 22.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.19 47.8 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.55 -62.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.2 t -102.67 -67.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -134.7 -168.55 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 174.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.43 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 58.36 -171.75 0.1 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -130.84 114.67 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 t80 59.75 -85.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -139.73 171.9 13.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 77.4 p -145.02 -15.78 0.51 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.08 34.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.435 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 35.6 t -129.92 18.04 5.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.53 -86.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.269 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -67.09 -57.26 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.416 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 HG11 ' A' ' 104' ' ' VAL . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 69' ' ' TYR . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB3' HD22 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG11 HG21 ' A' ' 25' ' ' VAL . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' HD13 ' A' ' 126' ' ' LEU . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.06 -25.24 67.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -63.17 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.6 -6.84 59.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -84.68 -41.06 7.91 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -126.32 -59.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.463 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -136.35 158.34 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.85 119.1 38.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 tp 61.02 105.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.74 151.54 28.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.66 95.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.552 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.73 120.71 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m 59.69 -179.78 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.254 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -83.45 156.83 22.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.27 97.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.258 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -105.78 164.54 11.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -156.5 101.88 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -89.85 -1.1 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -102.21 150.44 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -151.9 -57.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 96' ' ' THR . . . -63.94 -56.36 15.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -76.29 2.87 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -107.43 160.55 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.92 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.401 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 81' ' ' LEU . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HD23 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' O ' HG12 ' A' ' 70' ' ' ILE . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 28' ' ' LEU . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 16' ' ' ALA . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.568 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.87 -48.42 81.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -67.92 -24.2 65.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.842 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -98.7 7.01 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -101.16 7.27 56.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -122.55 -0.67 9.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.371 -179.9 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -165.93 157.55 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.07 112.55 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -168.53 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.12 -176.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.43 -0.07 86.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.4 104.29 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.986 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -132.79 154.08 50.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.684 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -62.52 112.16 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.86 -56.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp 58.59 19.87 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 m -132.87 -32.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -77.02 -31.05 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.56 179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -82.01 108.94 15.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -163.14 -59.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.19 32.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -88.39 10.04 21.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -104.93 167.7 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -22.82 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.499 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' PHE . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 61' ' ' ILE . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.7 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HB2' HD12 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 119' ' ' LEU . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -62.03 -29.35 70.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.15 -36.13 77.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.93 0.58 30.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.076 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.26 -48.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.565 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 65.72 129.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.719 0.295 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.45 85.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 98.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.412 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -126.5 121.42 32.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -132.84 123.92 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.96 -179.82 53.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.684 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 -51.99 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.4 p -86.53 -177.21 6.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.3 t80 60.25 99.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.35 172.38 8.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.89 120.35 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -162.55 1.87 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 58.14 98.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -120.27 126.82 51.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.588 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.0 m -87.75 -41.16 13.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -71.21 -4.39 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.579 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p -52.63 -80.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.24 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -173.88 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.153 0.502 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.05 -56.93 13.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.334 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG2' HD13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' SER . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.401 HG21 ' HB1' ' A' ' 16' ' ' ALA . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.534 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.83 -21.75 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -66.85 -22.36 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.56 -23.99 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.24 -39.47 2.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.88 -28.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.505 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.85 -14.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.016 -179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.87 137.91 58.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.5 tp -119.75 -28.13 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.64 158.17 34.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.32 -34.28 1.8 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.69 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 44.3 tt0 -121.68 141.61 50.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.704 0.287 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -60.8 -27.29 67.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 78.3 t80 -89.39 121.31 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.63 168.48 21.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.95 169.51 8.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -100.34 176.46 5.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -93.17 164.05 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.798 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -107.72 -172.22 2.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.1 p -127.76 -33.16 2.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.49 73.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -84.0 -5.73 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -92.97 167.41 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.7 -22.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.347 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.456 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.626 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 110' ' ' ASP . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.69 -18.21 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -69.27 -17.46 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.078 179.842 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.42 -18.24 63.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.959 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.7 71.52 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.691 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -158.67 144.74 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.722 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.436 -179.94 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -130.27 154.07 47.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.863 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.07 -29.42 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.91 120.03 29.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.93 128.67 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.15 148.32 4.8 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.37 132.61 35.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -169.89 10.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -153.73 -173.27 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.87 122.45 11.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -65.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.734 -179.743 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -79.03 125.83 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -95.95 -56.42 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -82.0 135.3 35.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m -146.69 -45.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -62.99 -7.78 5.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.452 -179.757 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.8 t -122.04 18.87 10.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.43 -91.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.69 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.38 -56.91 11.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.794 -179.279 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 69' ' ' TYR . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 110' ' ' ASP . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.39 -27.51 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.96 -49.33 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -86.26 4.86 37.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.58 -35.55 36.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -82.03 131.73 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptm . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.722 0.296 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 58.8 100.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.044 179.837 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.18 -35.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 pt? -144.09 152.22 40.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.55 104.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.44 147.47 17.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 59.49 96.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.871 0.367 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -85.78 143.46 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.01 -34.29 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.741 179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.2 119.81 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -112.14 -39.74 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.828 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 -178.24 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -69.48 -173.84 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.722 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -60.41 108.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 40.8 t -121.11 -71.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.45 -4.71 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.3 t -55.84 -75.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.32 -24.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.493 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.92 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 15' ' ' SER . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.605 ' HB3' HG22 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.675 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 73' ' ' VAL . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 69' ' ' TYR . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.487 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.79 -20.47 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -69.5 -12.82 61.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -87.04 -21.84 25.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -65.54 -68.21 1.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 59.34 96.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.533 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.44 -169.77 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -65.42 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.954 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 tp -108.6 -73.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.28 -25.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.19 -141.09 6.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.376 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.87 164.86 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 110.657 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.4 t -136.83 170.25 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 58.1 -166.56 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.98 -169.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.269 179.851 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.24 168.39 11.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -148.28 105.68 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -142.51 -5.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.651 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -123.72 -0.22 8.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 81.1 p -91.19 -20.51 21.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -57.99 -20.18 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -123.98 15.8 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -138.96 -86.27 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.207 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -68.57 -57.26 6.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.611 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 81' ' ' LEU . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' HG23 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 HG23 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE1' HG21 ' A' ' 73' ' ' VAL . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 72' ' ' LEU . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 28' ' ' LEU . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.35 -29.69 70.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.16 -37.81 86.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -97.37 3.25 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -73.76 -27.4 67.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.727 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.31 102.23 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.762 0.315 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.951 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.09 -63.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.779 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.09 140.43 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.33 -11.24 60.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.45 14.2 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.96 99.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 57.71 63.26 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -152.43 119.27 5.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -77.91 -52.66 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.88 129.05 10.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -132.08 150.63 52.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 56.43 -171.27 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 58.16 96.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 t -134.26 -41.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -76.56 -30.44 57.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 -179.853 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -12.26 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.4 t -129.76 22.87 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.035 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -157.65 -86.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 111.74 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -57.05 7.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.067 -179.124 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 97' ' ' LEU . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.05 -18.83 62.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -68.71 -25.7 64.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.7 -1.09 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -71.15 -72.9 0.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.596 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -73.93 123.82 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.496 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -97.03 164.73 12.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.96 168.18 0.11 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.39 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 56.87 -168.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.01 -45.16 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.8 163.66 19.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.39 2.74 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -75.8 -20.55 58.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.17 131.65 35.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.5 15.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.54 17.7 5.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -158.38 149.68 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.692 -179.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.96 137.63 13.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -171.54 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.4 p -157.21 -20.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -60.26 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.226 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -74.85 -1.2 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.39 167.46 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.72 -22.82 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.623 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CE1' HG21 ' A' ' 73' ' ' VAL . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 78.6 mm-40 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 94' ' ' THR . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.7 -28.94 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 3.3 mmmp? -69.54 -24.62 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.026 -179.861 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -89.1 -1.45 58.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.97 29.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.774 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -77.13 160.39 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.577 179.948 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 60.14 93.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 -174.42 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.331 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 41.8 tp -155.04 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.572 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 44.1 mt-10 -122.12 158.14 29.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.87 133.67 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.597 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -100.65 -3.89 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 61.86 97.25 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -153.26 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.58 12.78 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.297 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.94 115.73 3.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -152.6 110.21 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -134.97 -177.52 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -118.13 154.21 32.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -152.42 -27.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -66.44 -27.99 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.8 p -111.0 12.68 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.703 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.66 -170.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.5 65.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.625 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.509 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.637 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE1' HG21 ' A' ' 73' ' ' VAL . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.45 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 69' ' ' TYR . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.534 HG21 ' HB1' ' A' ' 16' ' ' ALA . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.39 -22.88 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.44 -38.27 89.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.1 -3.38 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.57 68.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.72 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.445 -179.843 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -134.39 5.96 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.58 112.04 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -125.64 -28.92 3.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.93 118.79 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.6 -43.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.396 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.73 137.98 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.5 m -152.06 96.46 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -132.96 -12.98 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.53 -18.36 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.014 179.881 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.6 mp -108.49 -57.66 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -99.5 124.95 45.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.51 -18.02 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m 59.12 15.76 4.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.6 m -151.14 -34.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 -51.54 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -92.87 23.91 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.68 -177.6 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.24 67.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.243 179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' VAL . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 82' ' ' LEU . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' HD13 ' A' ' 126' ' ' LEU . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 122' ' ' LYS . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.14 -30.52 71.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -69.55 -20.18 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -96.96 1.68 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.94 22.54 3.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.624 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -148.89 113.97 5.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 111.02 179.917 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.498 179.794 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.75 -44.39 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.37 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -120.25 8.99 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.015 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.49 168.06 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.71 160.88 26.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.0 tt0 -139.43 149.4 44.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.658 0.266 . . . . 0.0 110.672 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -76.89 6.48 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.545 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 63.3 m-85 61.81 97.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.31 127.09 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.5 mt -127.43 105.69 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -145.98 151.57 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -69.72 144.19 52.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 16' ' ' ALA . 33.9 t -154.21 19.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.736 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p 62.82 0.8 0.73 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.405 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -81.35 -32.73 32.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 179.779 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 t -100.95 -4.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.955 179.233 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -87.18 171.93 10.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -23.34 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.559 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.682 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 105' ' ' ALA . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.08 -18.28 60.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -66.11 -31.62 72.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.34 1.49 57.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.0 7.44 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -148.77 132.01 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.071 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.488 179.938 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.22 151.0 20.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.53 14.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.0 mp 58.56 -171.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.81 104.73 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.8 158.09 34.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.21 111.94 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -127.39 -13.05 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -65.16 144.26 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.3 -25.38 14.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.15 152.31 21.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -88.9 178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -60.23 -76.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.5 p -170.97 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.6 t -170.33 -35.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.31 42.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.401 -179.822 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -129.25 19.13 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.01 -88.56 0.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.329 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.82 7.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 39' ' ' LEU . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.2 mm-40 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -75.55 -23.41 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.39 0.88 15.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.23 -11.37 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 122.27 -66.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.456 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -165.15 146.13 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.592 -179.83 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.49 -12.01 35.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.07 -169.8 0.13 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.313 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 2.3 pp -63.3 167.58 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.66 -63.03 0.22 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.04 -151.49 18.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.95 167.66 21.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -103.55 -60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -143.71 -61.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 101.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 mp -117.54 156.26 28.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.803 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -84.48 -1.75 56.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -85.73 126.72 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -120.71 139.52 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -111.77 -28.84 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -62.67 -10.13 11.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.337 -179.854 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -126.1 18.4 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.872 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -148.64 -88.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.357 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.77 -57.21 5.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.651 -179.593 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 72' ' ' LEU . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 40' ' ' LEU . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 97' ' ' LEU . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -24.57 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -69.5 -29.17 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.711 -179.827 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.11 -12.35 61.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.996 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 156.82 -70.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -156.24 11.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.884 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.767 0.318 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.69 126.79 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 -3.25 58.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.1 mt -92.66 5.69 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.74 -27.37 44.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.64 -10.74 6.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -110.82 128.5 55.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -167.71 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.89 124.47 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.15 -9.25 46.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.5 mt 58.48 17.97 5.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -122.34 109.15 14.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 58.37 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t 58.43 106.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.947 0.403 . . . . 0.0 111.41 179.835 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -137.0 -20.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -75.72 -39.65 56.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.368 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.2 p -90.57 16.59 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.38 178.29 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.019 0.438 . . . . 0.0 111.293 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.75 -23.13 67.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.301 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 25' ' ' VAL . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 21' ' ' PHE . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' PHE . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 72' ' ' LEU . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.461 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.09 -23.47 65.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.27 -13.64 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -100.66 0.69 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -94.37 -30.91 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.0 155.07 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.39 179.899 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.09 -62.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.9 -6.9 56.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.35 -15.15 41.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.018 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -88.23 103.22 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.21 174.99 39.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.13 100.42 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 t -157.6 -33.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 56.97 -169.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.02 -5.31 3.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.46 171.68 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -134.07 -6.71 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -117.79 140.05 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -152.27 149.12 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.785 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 m -95.23 -11.13 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 -4.6 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.39 -179.82 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 m -48.91 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -171.45 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 111.221 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.18 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.609 -179.532 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HB2' HG22 ' A' ' 61' ' ' ILE . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 73' ' ' VAL . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.568 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 69' ' ' TYR . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 92.9 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.456 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.47 -32.55 72.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.85 -39.95 94.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.06 -9.34 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.69 -26.1 68.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 53.9 95.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.566 179.966 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.718 0.294 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.04 -44.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.95 -85.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.474 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.33 108.19 6.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.98 -25.98 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.78 169.45 13.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.2 -70.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -163.73 -12.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 59.39 -175.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.22 14.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 59.68 -174.35 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t 62.15 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 65.82 136.4 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p 47.6 85.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.375 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -170.46 -61.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -19.45 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.715 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 t -132.98 28.48 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -156.94 -81.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.96 0.409 . . . . 0.0 111.383 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.95 7.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.497 -179.613 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 28' ' ' LEU . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 47' ' ' LYS . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -55.06 -44.7 74.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -20.96 60.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.723 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -94.0 7.29 45.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.47 -23.55 1.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -80.0 -31.94 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.61 -179.852 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.724 0.297 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 62.11 169.53 0.12 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 14.72 25.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.364 -179.736 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.46 18.55 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.333 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.81 142.77 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.55 -18.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.48 -53.55 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.7 p -83.09 138.3 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.34 150.54 39.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 174.5 7.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -153.24 -14.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -85.47 110.76 19.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -130.06 116.2 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 30.5 p 47.64 -97.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.237 -179.863 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 111.611 179.675 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -56.81 -40.76 76.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.347 -179.841 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.9 p -96.59 24.66 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 23.0 t70 -132.85 171.17 14.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.5 -23.34 15.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.565 179.887 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 34' ' ' ASP . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 69' ' ' TYR . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -56.03 -44.51 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -17.27 60.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.64 -4.27 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.28 53.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HA ' ' HE ' ' A' ' 135' ' ' ARG . 5.5 tpm_? -88.22 140.55 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.482 ' H ' ' HE ' ' A' ' 135' ' ' ARG . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.572 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -135.76 -66.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.8 -27.41 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.4 mp -86.99 172.81 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 61.59 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 99.2 0.84 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.629 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.1 tt0 -133.78 116.18 15.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.6 p -82.06 11.79 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 89.5 m-85 59.89 -174.87 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.38 141.51 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.5 mp -89.93 163.53 14.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -92.29 118.01 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -62.58 139.95 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.7 m -65.58 165.17 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -143.86 -40.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -54.08 36.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.907 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -93.81 4.04 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.45 168.3 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.967 -179.836 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.48 -22.49 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.566 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.9 -15.32 63.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.34 -2.2 24.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -95.96 -11.02 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.605 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -143.17 6.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.247 179.744 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.33 -35.23 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.42 106.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.74 138.4 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -135.93 -21.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.85 109.52 2.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.95 116.79 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 t -156.61 144.72 19.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -126.1 -60.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.0 139.15 17.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.9 mm? -99.38 -177.55 3.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -75.13 -171.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.8 -172.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -78.45 117.91 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 t -156.26 -31.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.17 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -122.11 16.85 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -137.6 -92.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.333 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -57.15 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.839 -179.54 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 21' ' ' PHE . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 97' ' ' LEU . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 126' ' ' LEU . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.28 -22.38 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -71.48 -14.97 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.03 -13.54 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.757 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.14 -7.53 30.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -162.77 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 58.08 19.0 5.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.246 179.965 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.21 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.406 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.9 mp -84.32 172.28 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.09 145.62 29.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.76 70.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 179.962 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -143.59 110.57 5.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -124.54 167.52 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.774 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.64 125.99 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.52 134.93 39.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.83 -55.43 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -67.37 171.11 6.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -84.49 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -58.28 148.77 26.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 49.1 m -153.67 -23.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.029 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -55.61 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -83.72 6.94 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 5.5 m-20 -103.13 174.84 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.89 -23.44 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.417 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 72' ' ' LEU . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.476 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CE1' HG21 ' A' ' 73' ' ' VAL . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 69' ' ' TYR . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.573 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.18 -29.46 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -71.0 -10.41 59.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.24 -12.35 61.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.745 179.874 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.46 -53.32 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -162.08 -58.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.916 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -98.1 149.13 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.99 112.62 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -155.61 125.51 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.61 0.85 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.16 90.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -111.38 108.91 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.94 -179.79 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.5 p -91.02 -61.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 179.864 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -142.73 114.54 8.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.07 -70.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -154.33 111.16 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -66.74 -55.62 14.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -168.27 -70.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 t -166.27 -64.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -134.89 -16.59 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 -4.24 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -46.57 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -170.78 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -26.79 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.856 -179.366 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.678 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.1 mm-40 -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HB3' HD12 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.84 -30.59 70.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -62.33 -44.73 95.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 3.84 51.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.24 -61.04 7.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -93.46 106.2 18.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.422 179.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 24' ' ' VAL . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' GLU . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 119' ' ' LEU . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.675 0.274 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 72' ' ' LEU . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 69' ' ' TYR . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.415 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.441 HD11 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB2' HD12 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' HG22 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.406 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 122' ' ' LYS . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.728 0.299 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' SER . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 ' HA ' HE21 ' A' ' 98' ' ' GLN . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.569 HE21 ' HA ' ' A' ' 95' ' ' THR . 49.7 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.718 0.294 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE1' HG21 ' A' ' 73' ' ' VAL . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 69' ' ' TYR . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.53 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.4 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.853 HD22 ' H ' ' A' ' 92' ' ' ALA . 5.0 t30 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.853 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 45' ' ' MET . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.504 ' ND2' ' H ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 113' ' ' LEU . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.709 0.29 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB3' HH11 ' A' ' 42' ' ' ARG . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 41' ' ' GLN . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.573 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.4 mm100 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.746 0.308 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 24' ' ' VAL . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' HG3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.681 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.5 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.735 0.302 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 81' ' ' LEU . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 28' ' ' LEU . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 25.0 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 105' ' ' ALA . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.419 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD13 HG12 ' A' ' 24' ' ' VAL . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.595 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.429 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.717 0.294 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 73' ' ' VAL . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 40' ' ' LEU . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 69' ' ' TYR . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 28' ' ' LEU . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.681 0.277 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' PHE . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 73' ' ' VAL . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.615 ' HA ' HE21 ' A' ' 83' ' ' GLN . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD11 HD21 ' A' ' 28' ' ' LEU . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.0 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.083 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 39' ' ' LEU . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.481 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.408 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 69' ' ' TYR . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.646 0.26 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CE1' HG21 ' A' ' 73' ' ' VAL . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 92' ' ' ALA . 1.8 p-10 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.576 0.227 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 HD11 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' HG3' ' A' ' 79' ' ' GLU . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' ' HD3' ' A' ' 75' ' ' LYS . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.678 0.275 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.779 0.323 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.653 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' SER . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.5 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.5 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.688 0.28 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HE1' HG21 ' A' ' 65' ' ' ILE . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HE1' ' A' ' 52' ' ' PHE . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 73' ' ' VAL . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.466 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.0 p-10 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.466 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.762 0.315 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 27.9 mm-40 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.669 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.669 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.443 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.509 ' ND2' ' HB3' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' ND2' ' A' ' 89' ' ' ASN . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.623 0.249 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' HZ ' ' HG ' ' A' ' 97' ' ' LEU . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 21' ' ' PHE . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.447 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.569 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 27.5 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.603 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.603 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.433 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.779 0.323 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 101' ' ' LYS . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.666 0.27 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.676 ' HA ' HE21 ' A' ' 83' ' ' GLN . 32.2 mm-40 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.676 HE21 ' HA ' ' A' ' 80' ' ' GLN . 43.2 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' HD13 ' A' ' 126' ' ' LEU . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 HD11 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD11 HD21 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.461 ' H ' ' ND2' ' A' ' 89' ' ' ASN . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' PHE . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 72' ' ' LEU . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HD3' HD12 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' HD3' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 73' ' ' VAL . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 23.8 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.409 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 100' ' ' HIS . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.734 0.302 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' PHE . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.507 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HZ2' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.542 HD21 ' HZ2' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.445 HG21 ' CE1' ' A' ' 69' ' ' TYR . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' NE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.425 ' NE2' HG23 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 126' ' ' LEU . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 122' ' ' LYS . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.72 0.295 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 HG11 ' A' ' 104' ' ' VAL . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 69' ' ' TYR . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB3' HD22 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG11 HG21 ' A' ' 25' ' ' VAL . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' HD13 ' A' ' 126' ' ' LEU . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.707 0.289 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 81' ' ' LEU . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HD23 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' O ' HG12 ' A' ' 70' ' ' ILE . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 28' ' ' LEU . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.568 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' PHE . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 61' ' ' ILE . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 27.0 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HB2' HD12 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.569 HD22 ' H ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.569 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 ' HA ' HE21 ' A' ' 98' ' ' GLN . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.569 HE21 ' HA ' ' A' ' 95' ' ' THR . 42.7 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG2' HD13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' SER . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.534 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.456 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.626 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.435 ' C ' HD22 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 110' ' ' ASP . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 69' ' ' TYR . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 110' ' ' ASP . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.605 ' HB3' HG22 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.675 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 73' ' ' VAL . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 69' ' ' TYR . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.487 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.689 0.281 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 81' ' ' LEU . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' HG23 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 HG23 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE1' HG21 ' A' ' 73' ' ' VAL . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 72' ' ' LEU . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 28' ' ' LEU . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.506 HD22 ' HB3' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.851 HD22 ' H ' ' A' ' 92' ' ' ALA . 4.5 t30 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.851 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.64 0.257 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CE1' HG21 ' A' ' 73' ' ' VAL . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm100 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 94' ' ' THR . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.641 0.258 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.509 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.637 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE1' HG21 ' A' ' 73' ' ' VAL . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 69' ' ' TYR . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.609 ' HA ' HE21 ' A' ' 83' ' ' GLN . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.609 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.7 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.497 ' HA ' HE21 ' A' ' 98' ' ' GLN . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 95' ' ' THR . 47.7 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.705 0.288 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' VAL . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 82' ' ' LEU . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' HD13 ' A' ' 126' ' ' LEU . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 122' ' ' LYS . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.682 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 105' ' ' ALA . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.741 0.305 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' LEU . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.4 mm100 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.689 0.281 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 72' ' ' LEU . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 40' ' ' LEU . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.657 0.265 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 25' ' ' VAL . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 21' ' ' PHE . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' PHE . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 72' ' ' LEU . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.461 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.461 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HB2' HG22 ' A' ' 61' ' ' ILE . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 73' ' ' VAL . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.568 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 69' ' ' TYR . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.1 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.456 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.71 0.29 . . . . 0.0 111.497 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 28' ' ' LEU . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 47' ' ' LYS . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.619 0.247 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 34' ' ' ASP . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 69' ' ' TYR . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.669 0.271 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 21' ' ' PHE . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.49 HD22 ' HB3' ' A' ' 92' ' ' ALA . 1.6 p-10 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 126' ' ' LEU . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 72' ' ' LEU . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.476 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CE1' HG21 ' A' ' 73' ' ' VAL . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 69' ' ' TYR . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.573 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.678 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HA ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HB3' HD12 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.825 0.345 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -153.98 137.52 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.42 173.3 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 tt -127.17 105.98 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.497 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -130.38 126.83 38.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.7 81.78 0.04 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.91 -60.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -95.45 -0.86 51.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.055 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -71.61 118.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.756 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.05 160.5 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.368 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.09 -64.72 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.681 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -153.14 -28.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.19 111.04 21.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -99.17 133.73 43.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.0 t -165.83 -82.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.32 -8.23 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.803 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.2 m -70.31 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -167.3 -18.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.38 -57.81 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 24' ' ' VAL . 41.3 tt0 -74.55 -40.08 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -54.96 -51.44 66.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.564 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -39.14 90.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.24 -42.48 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.713 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 20' ' ' GLU . 45.1 t -66.4 -40.28 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.699 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' HD12 ' A' ' 28' ' ' LEU . 76.0 t -56.81 -37.65 54.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.36 -46.48 70.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.112 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.53 -24.93 67.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.919 0.39 . . . . 0.0 110.747 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 79.5 mt -72.45 -48.59 39.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.54 -38.08 77.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.0 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -58.62 -33.19 69.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.53 -35.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' LEU . 89.3 mt -59.35 -37.8 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -93.02 0.5 57.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.085 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.28 133.5 49.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.48 -48.4 74.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.595 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.244 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -74.01 -36.81 64.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -65.19 -38.01 89.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.5 tp -68.66 -49.11 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -46.21 90.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.495 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -59.92 -54.11 50.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.813 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -65.65 -32.53 74.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.606 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -59.49 -48.82 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.264 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -78.59 -35.36 45.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.571 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -61.55 -25.29 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.287 . . . . 0.0 111.174 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.12 -30.9 71.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.5 -43.78 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -56.4 -47.9 78.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.878 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -18.94 61.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.626 0.25 . . . . 0.0 111.245 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.32 -43.0 19.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -67.82 -40.68 83.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.328 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -72.56 90.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.44 139.28 43.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.756 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.13 102.63 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.5 p -131.51 176.4 8.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.1 -16.7 20.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -108.49 152.86 24.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.51 130.55 45.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -96.83 154.32 17.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.774 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.6 tp -80.05 -17.39 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -63.82 -15.05 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.366 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -71.22 -23.58 62.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.451 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 29.7 m -70.27 -52.6 11.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -66.23 -40.38 15.31 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.076 1.851 . . . . 0.0 112.249 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.63 -45.64 97.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.002 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -61.74 -46.83 87.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -59.64 -34.85 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.43 -37.73 85.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 57.1 t80 -68.08 -36.68 80.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.6 mm -73.5 -29.3 26.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.353 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -89.61 -27.3 20.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.624 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.0 tm? -90.1 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 41.0 t -73.74 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.6 tt0 -52.23 -45.99 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.491 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.9 -38.71 91.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.619 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -55.69 -51.46 67.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.991 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.01 -47.04 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.6 tt0 -57.27 -50.54 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.394 -179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 16.1 mm-40 -57.05 -47.42 80.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.664 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.68 -32.36 69.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.964 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.39 -36.7 45.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.188 0.518 . . . . 0.0 111.099 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.53 -23.41 64.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.531 -178.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 47.2 mt-30 -54.26 -22.26 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.003 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG3' HG13 ' A' ' 85' ' ' ILE . 3.2 ptp180 -124.12 -8.92 7.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.248 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 84' ' ' ARG . 47.8 mt -134.92 91.73 19.67 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.91 -4.73 15.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.759 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -113.02 17.48 18.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.676 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -68.46 148.36 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.43 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -130.96 86.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.6 tpt -60.27 -28.2 67.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.288 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.12 -58.03 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.253 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.32 -25.14 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -68.15 -53.07 27.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.155 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -62.13 -43.56 98.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.623 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.1 p -55.39 -50.45 69.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.9 0.381 . . . . 0.0 111.37 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.4 m -71.56 -29.22 64.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.58 -37.45 75.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -51.32 -44.03 61.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.981 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -82.58 -36.24 26.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -67.57 -6.13 18.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -60.46 -17.84 47.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.76 -25.47 53.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -99.54 -58.49 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.5 p -60.46 160.52 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.767 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.7 -36.17 92.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.577 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.46 -34.5 72.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.67 0.271 . . . . 0.0 111.152 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 40.9 mm -74.54 -49.09 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.476 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -63.17 -29.02 70.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -48.15 -32.24 6.69 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 111.009 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -72.55 -49.5 32.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.064 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.1 -22.76 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.597 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.449 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.2 tp -51.05 -27.24 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.997 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.0 p -60.95 2.08 0.13 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.916 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.449 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.71 74.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.724 0.297 . . . . 0.0 110.916 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 47.4 p -139.32 -32.96 0.64 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.659 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.48 90.62 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.933 0.397 . . . . 0.0 110.944 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.26 -23.37 65.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.066 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 119' ' ' LEU . 8.4 mp -72.18 -37.48 69.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.34 58.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.139 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.74 -54.41 35.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.27 -53.62 52.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -54.79 -28.55 49.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.046 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.8 ttp -67.19 -47.78 69.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.887 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -66.11 -47.7 73.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -56.27 -35.64 67.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -71.97 -36.23 69.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -63.7 -43.37 96.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.608 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -67.52 -34.26 76.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.736 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.01 89.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -64.26 -24.66 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -68.99 -26.83 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -88.54 -0.53 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.63 90.17 0.15 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -163.05 132.65 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.339 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.51 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.9 mmm . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -144.76 -26.27 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.28 -173.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.425 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.0 mp -87.55 -18.81 28.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -111.88 149.42 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.11 154.38 28.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.469 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.28 131.35 36.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.715 0.293 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 t 64.68 153.49 0.06 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.269 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.09 145.21 43.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.81 157.04 17.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.7 pt? -69.53 140.15 53.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.895 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.421 ' H ' ' H ' ' A' ' 13' ' ' PHE . 46.9 t -164.14 -6.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' H ' ' H ' ' A' ' 12' ' ' SER . 77.4 m-85 -113.44 -74.03 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -102.63 -172.14 2.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 t -144.95 -33.35 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -67.7 -24.56 65.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -105.13 -6.91 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.168 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.13 -174.11 3.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 -23.6 65.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -56.89 -44.45 82.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 59.6 t80 -58.62 -53.04 62.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.833 0.349 . . . . 0.0 110.517 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -60.88 -28.78 69.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -50.71 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -58.0 -47.04 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.92 -42.43 63.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -42.07 99.69 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.32 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.88 -33.37 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.326 . . . . 0.0 110.745 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD21 HD11 ' A' ' 81' ' ' LEU . 96.1 mt -66.05 -45.85 79.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.95 -41.58 92.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.58 -32.45 70.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.9 mt -78.0 -39.18 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.04 -32.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.6 mtt -94.8 19.69 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -85.62 138.79 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.06 -50.99 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.452 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.96 -27.84 67.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.058 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -74.38 -33.43 63.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -68.37 -47.35 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.231 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.87 -42.98 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD21 HD11 ' A' ' 72' ' ' LEU . 9.1 tt -60.83 -52.15 66.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.68 -53.68 54.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.482 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -62.27 -32.76 73.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.363 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.18 -48.45 81.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -77.85 -35.75 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.563 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.8 mtp -62.62 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.627 0.251 . . . . 0.0 111.319 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.44 -31.19 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -96.19 -45.52 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.403 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.0 m-85 -53.79 -46.93 71.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.985 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -17.42 63.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.39 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.0 -42.64 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.58 -42.39 91.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.58 89.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.085 0.469 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -103.87 143.64 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.701 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -65.19 97.52 0.26 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.011 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -139.96 167.31 22.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.29 -23.72 18.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -93.05 156.6 16.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -115.36 136.81 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.949 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -104.65 163.81 12.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.6 tp -80.3 -15.8 56.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.19 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.12 -16.98 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.983 0.42 . . . . 0.0 110.984 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -71.17 -20.82 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.344 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 35.7 m -71.66 -52.83 7.89 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.637 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.1 Cg_endo -67.23 -41.61 9.08 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.077 1.851 . . . . 0.0 112.4 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.93 -47.99 87.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 120.754 0.312 . . . . 0.0 111.254 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -61.39 -43.49 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.042 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -61.7 -36.51 81.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -66.77 -34.4 77.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.4 t80 -69.19 -36.97 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.591 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.7 mm -74.04 -29.54 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.238 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 45.4 t -86.9 -28.89 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.29 -62.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 69' ' ' TYR . 52.4 t -73.25 -61.08 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.1 tt0 -52.05 -39.51 59.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.648 0.261 . . . . 0.0 111.277 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmmt -74.43 -28.72 61.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.731 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -57.49 -49.56 75.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.298 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.415 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 73.9 mt -68.72 -41.28 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.28 -50.39 69.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.363 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.45 -47.07 87.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.539 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -58.44 -30.43 66.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.377 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.441 HD11 HD21 ' A' ' 28' ' ' LEU . 89.5 mt -77.36 -38.96 49.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.097 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -23.4 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.315 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -60.96 -18.64 58.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.526 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB2' HD12 ' A' ' 85' ' ' ILE . 72.1 mtt180 -122.96 -27.87 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.124 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.5 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.7 mp -128.12 90.23 47.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.77 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -68.69 -5.32 15.11 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.431 2.087 . . . . 0.0 112.438 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.22 16.91 18.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.955 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.9 147.85 42.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.985 0.421 . . . . 0.0 111.039 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -129.08 98.63 4.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.556 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -64.12 -30.14 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.479 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.28 -58.01 7.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.632 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.23 -28.17 66.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.41 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -63.12 -49.99 72.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.0 p -66.33 -38.23 87.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.184 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 61.5 m -58.16 -44.37 87.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.2 m -77.77 -29.28 50.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -39.37 91.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.099 -178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 95' ' ' THR . 19.1 pt20 -52.08 -34.48 43.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.746 0.307 . . . . 0.0 111.254 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -82.23 -42.7 18.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.064 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -70.49 -0.88 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -63.17 -18.09 63.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.027 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.33 -5.55 47.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.638 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -120.58 -60.01 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.1 p -55.51 150.75 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.61 107.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.99 -30.6 77.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.589 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.11 -48.14 82.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.605 0.24 . . . . 0.0 111.479 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 62.2 mt -70.32 -49.23 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.507 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.6 t80 -62.83 -28.76 70.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.205 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -49.23 -34.39 14.87 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.42 -42.1 65.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.124 0.487 . . . . 0.0 110.1 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.8 mt -65.35 -23.08 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.025 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 55.0 mt -50.28 -27.11 5.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.068 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.2 p -56.84 -3.46 0.12 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.916 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.0 m-85 -64.62 -34.43 78.25 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.698 0.285 . . . . 0.0 110.872 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -139.81 -36.99 0.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.635 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.94 90.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.099 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -59.99 -33.2 71.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -36.75 81.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.99 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.19 -31.87 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -61.46 -54.78 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.777 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -65.89 -47.85 73.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.45 -28.95 65.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.798 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.5 ttp -67.33 -47.69 69.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.659 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -65.08 -45.11 86.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.73 -33.21 71.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.896 0.379 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -71.48 -42.88 67.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.708 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.05 -41.41 98.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.789 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -62.69 -43.71 98.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.79 -29.01 70.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.807 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -74.86 -28.16 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.726 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 4.0 mmmp? -63.7 -32.47 73.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.21 -8.73 57.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -87.27 49.04 3.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.34 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 59.7 100.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.902 0.382 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.575 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 tmm? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.785 0.326 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -99.37 142.58 30.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.32 -13.59 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.2 mp -97.04 128.86 44.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.72 -35.83 8.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.43 174.0 27.92 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.585 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 61.9 -83.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.678 0.275 . . . . 0.0 111.213 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.6 t -63.72 166.73 6.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.966 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -67.23 141.76 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.07 175.04 9.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 11' ' ' LEU . 2.6 pp -85.27 11.1 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.401 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -88.72 139.25 30.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -131.55 -40.37 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.4 m -140.75 179.66 6.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' PHE . 47.9 m -88.66 3.26 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.47 -4.61 4.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.565 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 49.0 m -67.85 0.59 3.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' SER . 6.6 m-20 75.13 -38.54 0.38 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.488 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.28 -52.89 28.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.7 -49.5 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.929 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' SER . 58.4 t80 -51.4 -48.53 62.57 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.843 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.87 -43.16 90.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.001 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.84 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.191 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.27 -39.46 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.061 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.1 -36.99 65.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.59 -40.48 90.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.279 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -66.65 -32.32 73.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.888 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -67.63 -48.69 66.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.091 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.58 -32.79 72.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.796 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -66.0 -32.73 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.4 -34.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.3 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.24 -32.98 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 92.9 mmm -90.71 1.02 57.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.24 132.53 47.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.594 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.32 -50.83 71.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.276 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.2 -25.54 65.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.278 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -76.39 -44.48 36.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.093 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.51 -35.73 81.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.0 tt -69.03 -52.35 29.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.35 -39.85 84.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.221 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -61.85 -46.1 90.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.378 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.43 -37.82 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.56 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.79 -48.97 79.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.815 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -74.59 -43.18 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.376 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 61.6 mtp -57.01 -25.47 58.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.79 0.329 . . . . 0.0 110.962 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.97 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -90.03 -43.3 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.63 -53.56 56.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.627 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.2 OUTLIER -55.6 -19.16 9.38 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.469 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.1 mt -80.42 -47.09 14.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.747 0.308 . . . . 0.0 110.791 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.45 -41.74 98.65 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -76.26 87.96 3.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.082 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -99.25 159.39 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.71 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -80.84 95.91 6.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.9 p -127.73 179.07 5.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.98 -34.88 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -103.33 137.14 41.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.086 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -87.26 167.03 14.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.7 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' HG22 ' A' ' 61' ' ' ILE . 92.9 mttt -128.99 169.32 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.98 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.09 -17.82 51.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.8 tp -64.97 -17.41 21.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -69.54 -20.97 63.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.374 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.5 m -74.32 -52.71 3.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.2 Cg_endo -63.63 -37.89 44.27 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.001 1.801 . . . . 0.0 112.036 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.26 -45.07 99.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -59.07 -47.29 85.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -58.28 -37.39 74.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.774 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -63.76 -35.09 79.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.783 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -68.03 -37.57 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.8 mm -74.14 -29.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.568 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 68.6 m -85.16 -28.54 25.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.501 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -90.46 -64.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.8 t -74.75 -62.28 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.8 tm-20 -52.97 -45.45 67.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.3 ttmm -64.47 -40.72 96.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -57.88 -37.32 73.75 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.207 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.79 -54.08 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 82' ' ' LEU . 43.6 tt0 -57.57 -50.48 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.411 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 51.1 mt-10 -54.22 -52.83 60.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.832 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.31 -30.59 66.79 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.01 -38.09 45.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.142 0.496 . . . . 0.0 110.796 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.34 -22.67 64.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.276 -179.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 85.4 mm-40 -53.71 -19.59 4.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -122.4 -30.71 3.91 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.5 mt -114.59 96.04 42.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.36 -10.2 20.55 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.439 2.093 . . . . 0.0 112.657 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -110.63 17.03 21.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.24 148.27 41.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.406 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -133.06 81.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.454 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.8 ttt -62.21 -27.33 68.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.03 -57.96 9.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -25.62 63.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 74.7 t80 -65.39 -49.66 68.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 62.1 p -65.64 -42.13 91.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.18 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 49.3 m -56.16 -45.11 79.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.2 m -77.69 -28.99 51.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.139 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.2 tt -56.66 -50.62 71.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.218 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 95' ' ' THR . 27.5 pt20 -51.76 -34.77 40.95 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -82.87 -41.89 18.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.004 0.43 . . . . 0.0 110.71 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -71.19 -5.22 30.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.383 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.37 -17.22 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.234 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -59.46 -13.45 8.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.179 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.61 -32.29 1.94 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.6 t -68.73 147.86 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.97 107.6 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.86 -30.46 77.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.612 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.62 -41.18 96.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.62 0.248 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mm -69.82 -50.45 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.131 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 22.1 t80 -65.86 -28.57 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -47.86 -29.46 3.3 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.632 0.253 . . . . 0.0 110.997 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.5 ttp -72.75 -52.23 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.206 0.527 . . . . 0.0 109.984 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.6 mt -66.41 -23.24 66.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.6 tp -51.1 -27.83 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.083 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.5 p -63.62 3.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.88 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.425 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.1 m-85 -64.71 -34.58 78.64 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.707 0.289 . . . . 0.0 110.823 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.3 p -135.44 -25.73 1.3 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.472 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -78.18 86.49 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.985 0.421 . . . . 0.0 110.776 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -58.31 -33.22 69.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.252 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.67 -39.82 81.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.48 -29.79 57.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.212 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -64.15 -55.02 24.8 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.406 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.3 tttt -64.24 -45.41 88.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.521 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.38 -28.71 69.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.682 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.92 -48.05 75.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.737 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 49.6 m-85 -69.14 -45.82 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.371 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 122' ' ' LYS . 9.2 mp -56.07 -49.38 73.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.12 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -63.1 -44.62 95.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -56.7 -36.48 69.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -71.07 -38.04 72.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.13 -31.82 71.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.008 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.13 -26.59 64.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.26 -17.84 64.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.19 -26.98 60.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.47 66.33 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -131.37 -0.39 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 0.0 110.996 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.438 -1.201 . . . . 0.0 112.514 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.768 0.318 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.94 -0.52 57.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 152.23 11.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 5' ' ' GLU . 10.0 tt -98.23 -37.15 9.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' HB2' HD23 ' A' ' 4' ' ' LEU . 2.7 tm-20 -158.33 -32.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.63 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.97 111.72 2.12 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.669 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.14 -27.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.527 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.8 m -129.03 -172.64 2.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.667 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -61.0 114.88 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.044 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.86 -71.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.9 mt 56.45 31.04 18.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -67.7 -71.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -144.52 149.49 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.998 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' SER . 50.6 m -150.7 -178.32 6.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 14' ' ' SER . 40.4 m 74.88 -43.8 0.53 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.799 0.687 . . . . 0.0 111.711 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -57.79 10.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -96.04 22.05 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.28 -174.89 2.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.02 -23.31 67.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.08 -45.54 79.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -57.61 -49.72 75.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.59 -37.13 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.025 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.93 -47.44 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.7 t -58.38 -44.99 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.7 t -55.13 -40.26 54.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.53 -45.11 95.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.387 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -63.39 -28.07 69.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.85 -47.03 61.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -60.35 -33.93 73.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -64.33 -32.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -82.9 -42.02 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.333 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.8 mt -59.22 -33.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.248 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.3 mtt -98.25 5.91 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.157 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 8.7 t0 -71.98 132.19 43.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.539 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -53.64 -53.19 55.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.808 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.3 pt-20 -60.57 -27.58 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.635 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -76.11 -38.52 56.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.097 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -67.44 -46.09 74.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.44 -51.44 67.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.43 -49.17 77.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -56.61 -48.81 76.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.58 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -67.21 -32.36 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.686 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -61.01 -47.23 87.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.485 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -76.39 -42.82 43.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.527 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -58.26 -24.34 59.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.44 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -93.13 -40.12 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.649 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.46 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.685 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -17.5 30.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.494 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.44 -46.96 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.756 0.312 . . . . 0.0 110.845 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.35 -35.8 78.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -71.84 90.85 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 111.341 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -84.82 139.78 31.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.42 78.29 3.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.9 p -144.73 179.13 7.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -91.16 -27.3 18.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.9 153.21 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -138.16 164.7 28.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.0 mtpt -134.73 170.53 15.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.9 tp -80.1 -14.44 58.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.8 tp -65.84 -13.56 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.978 0.418 . . . . 0.0 111.03 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -72.49 -18.84 61.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.231 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.498 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.6 m -73.78 -52.73 4.55 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.451 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.8 Cg_endo -66.37 -41.17 12.74 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.969 1.779 . . . . 0.0 112.099 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.62 -43.82 95.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.76 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -62.23 -42.75 99.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -66.09 -26.83 67.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.567 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -73.48 -33.85 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -70.29 -40.55 74.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.3 mm -73.47 -29.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 44.3 t -83.86 -29.71 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -91.14 -63.64 1.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.13 -62.14 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 7.2 tp10 -53.12 -43.29 66.78 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.692 0.282 . . . . 0.0 111.421 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 71' ' ' SER . 57.9 tttm -67.38 -35.42 79.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.603 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -57.86 -49.56 76.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.98 -41.05 89.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.891 0.377 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.45 -49.69 75.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.578 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -59.64 -47.47 85.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.516 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.57 -33.8 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.464 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.8 mt -77.41 -34.55 54.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.407 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.02 -23.76 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.697 0.284 . . . . 0.0 111.177 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -64.22 -19.17 65.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.006 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -115.76 -30.87 5.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mt -128.57 91.28 44.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.08 -4.39 14.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.38 2.053 . . . . 0.0 112.398 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -111.35 14.11 21.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.23 146.8 32.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.075 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -127.1 97.32 4.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.288 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.66 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.211 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.88 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.302 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.42 65.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.032 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -70.89 -46.56 62.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.021 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 p -63.19 -41.49 99.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.148 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 ' HA ' HE21 ' A' ' 98' ' ' GLN . 60.7 m -58.47 -48.62 80.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.8 m -70.35 -29.76 66.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.6 -36.72 79.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.569 HE21 ' HA ' ' A' ' 95' ' ' THR . 49.7 mt-30 -51.08 -35.37 34.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.328 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 -82.35 -41.91 19.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.087 0.47 . . . . 0.0 110.264 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -72.11 -0.83 12.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.797 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.21 -18.88 65.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.14 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -80.76 -6.2 58.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -119.43 -60.34 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -56.11 159.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.38 106.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.4 -30.42 77.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.288 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.26 -36.74 84.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.606 0.241 . . . . 0.0 111.206 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.23 -50.12 29.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.272 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.4 t80 -64.53 -28.57 69.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.736 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 18.6 t70 -48.77 -32.4 8.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.131 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.4 -47.66 47.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.243 0.544 . . . . 0.0 110.021 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 76.4 mt -65.83 -22.65 66.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.187 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.5 mt -50.51 -26.63 5.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.066 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.2 p -55.06 -6.27 0.13 Allowed 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.3 m-85 -65.0 -32.7 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.296 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.8 p -134.79 -43.12 0.74 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.667 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -63.41 92.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 111.03 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.88 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.021 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.54 -38.47 84.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.251 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.5 -30.76 57.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.963 0.411 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -63.77 -54.61 32.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.76 -50.66 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.8 -32.2 63.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.1 ttp -65.37 -47.69 75.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -62.83 -48.77 77.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.332 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.28 -39.71 76.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.177 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.14 -32.04 72.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.469 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -64.33 -43.78 93.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -69.88 -34.16 73.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.76 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.97 -22.82 63.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -68.33 -17.51 64.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -102.05 -5.59 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.775 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -103.01 34.01 6.12 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -77.38 -31.17 54.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.524 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.3 mtt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 58.72 95.75 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.52 1.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.5 pt? -119.89 -18.99 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -91.85 -18.01 24.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.898 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.06 179.95 45.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.632 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.92 -175.25 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.7 0.286 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.3 m -130.53 -65.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.171 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 60.25 -85.16 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.03 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.37 154.56 23.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.98 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -70.01 114.32 8.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.4 m -109.77 153.38 24.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 t80 60.68 106.42 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.257 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 t -103.94 114.74 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -124.2 -36.4 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.814 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -75.58 -28.06 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.272 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.8 t -101.23 0.32 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.762 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -104.12 176.9 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.752 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -23.57 50.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.397 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.4 -44.65 80.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.745 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 65.4 t80 -52.45 -46.57 66.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -58.48 -40.21 82.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.66 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.72 95.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.865 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.62 -44.95 94.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.993 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.78 -37.94 73.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.72 -51.38 57.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.298 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -58.31 -34.79 70.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.754 0.312 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 32' ' ' ILE . 81.7 mt -61.72 -47.28 85.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.35 -40.35 81.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -63.09 -33.05 74.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.076 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -78.14 -39.18 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.289 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 28' ' ' LEU . 70.6 mt -65.56 -30.93 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.388 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.4 mtm -96.0 7.09 47.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.78 135.46 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -58.23 -49.8 75.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.371 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.69 -25.44 64.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.059 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.12 -43.91 55.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.87 -36.7 84.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 tp -68.9 -52.07 33.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -58.25 -47.95 81.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.592 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -65.98 -34.14 77.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.734 0.302 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -64.77 -47.14 79.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.483 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -73.12 -47.0 47.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.623 0.249 . . . . 0.0 111.406 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 87.7 mtp -58.01 -25.39 61.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.37 -30.81 67.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.836 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.6 mmtt -96.92 -40.04 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.7 m-85 -55.97 -49.42 73.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.762 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.66 -21.51 64.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.625 0.25 . . . . 0.0 111.414 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 47' ' ' LYS . 87.4 mt -75.07 -44.18 48.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.38 -40.16 89.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -73.72 89.38 1.78 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.72 151.51 19.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.769 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.2 95.48 4.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.3 p -143.38 170.24 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.0 -17.92 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.32 124.27 40.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -85.59 159.46 19.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -124.89 162.61 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.9 tp -80.08 -12.06 59.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -67.82 -18.04 23.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.322 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -71.29 -19.65 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.483 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 63.2 m -72.84 -52.65 5.81 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.561 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.44 -41.43 11.93 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.13 1.887 . . . . 0.0 112.244 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.87 -42.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -61.64 -45.28 94.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -61.99 -29.38 70.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.953 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -71.06 -38.17 72.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.4 ' CE1' HG21 ' A' ' 73' ' ' VAL . 70.5 t80 -66.57 -39.22 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.06 -29.02 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.468 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.3 t -82.97 -33.49 26.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.626 0.25 . . . . 0.0 111.652 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -89.91 -61.83 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 ' CE1' ' A' ' 69' ' ' TYR . 59.6 t -72.33 -58.54 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.586 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -51.87 -42.82 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.669 0.271 . . . . 0.0 111.029 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -72.65 -27.05 61.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.61 -50.66 73.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.629 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.55 -46.08 83.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.53 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -55.83 -50.84 69.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.682 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.4 mt-10 -58.89 -49.19 78.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.08 -31.31 66.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 99.0 mt -78.88 -38.1 38.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.35 0.595 . . . . 0.0 111.059 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.29 -23.24 64.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.744 -178.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 16.3 mm100 -54.86 -20.37 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -122.21 -24.63 5.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.8 mt -123.94 89.74 51.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -70.69 -19.46 31.68 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.324 2.016 . . . . 0.0 112.579 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -94.38 16.88 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.888 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.4 ' HB3' HD22 ' A' ' 82' ' ' LEU . 38.3 t80 -73.91 148.36 42.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.335 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.853 HD22 ' H ' ' A' ' 92' ' ' ALA . 5.0 t30 -138.21 96.55 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.174 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -38.24 75.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.806 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 -51.52 69.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.606 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.853 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -71.35 -26.86 63.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.315 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 45.5 t80 -68.83 -45.88 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.363 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -68.12 -49.38 61.49 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 9.7 t -55.54 -40.89 72.45 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.145 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.56 HG21 ' HB1' ' A' ' 16' ' ' ALA . 91.1 m -77.96 -29.24 49.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 111.036 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.0 OUTLIER -57.39 -43.02 83.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.664 -179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 95' ' ' THR . 18.7 pt20 -52.76 -31.21 37.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 111.293 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -77.36 -45.91 24.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.063 0.459 . . . . 0.0 110.396 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -71.52 -4.5 27.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -65.6 -16.53 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.547 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.45 -5.23 27.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -131.25 -49.51 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.3 t -55.78 146.4 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.99 107.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.44 -31.0 77.52 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.558 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.72 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.681 0.276 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.6 mt -73.26 -49.53 37.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.483 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -64.88 -28.95 69.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.09 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -48.55 -28.65 3.54 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.874 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.7 ttp -72.51 -51.78 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.265 0.555 . . . . 0.0 109.907 178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.77 -22.84 66.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.736 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.8 tp -50.5 -27.53 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.4 p -60.03 -0.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.011 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.426 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.8 -23.71 67.32 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.64 0.257 . . . . 0.0 110.781 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -143.53 -33.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -72.08 90.23 1.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.01 -34.4 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.326 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.71 -34.65 76.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -33.4 58.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -61.82 -54.51 41.22 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.925 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 87.8 tttt -63.34 -50.57 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.768 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -58.91 -28.7 66.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -65.09 -47.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.71 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -68.21 -42.92 79.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.244 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 87.9 mt -57.77 -42.82 84.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.832 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -66.76 -41.71 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -57.84 -38.27 75.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -71.15 -34.35 70.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.617 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.35 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.88 -26.35 67.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.912 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -68.09 -21.69 64.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.798 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -79.09 -1.01 33.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -145.03 57.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.451 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -83.19 -31.82 26.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.794 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -134.49 121.22 20.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.12 -177.99 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.4 pt? -81.97 -6.85 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 58.11 -173.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.91 161.09 30.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -89.07 108.43 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.7 t -128.99 104.49 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.673 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -130.15 -33.38 1.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 108.49 7.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.2 mt -136.5 -175.13 3.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.6 m -65.54 -51.49 59.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -96.21 94.55 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.801 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.444 ' C ' ' H ' ' A' ' 16' ' ' ALA . 44.7 t -169.28 -38.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 42.3 t 67.63 -8.87 0.47 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.655 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' SER . . . -55.38 -30.55 60.59 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -54.08 142.28 25.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -55.83 -25.69 42.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.035 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.68 -57.16 6.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.936 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 7.4 tp10 -71.6 -50.7 28.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.534 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -47.85 -55.08 10.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.057 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.13 -37.92 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -46.16 79.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.014 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.02 -41.73 92.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.785 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.7 t -52.42 -43.88 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.689 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.23 -50.19 67.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.152 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -56.72 -32.41 65.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.737 0.303 . . . . 0.0 110.737 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 81' ' ' LEU . 92.2 mt -70.3 -43.09 71.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.16 -36.9 68.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.82 -32.81 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.795 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.6 mt -76.88 -36.8 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.2 mt -63.97 -37.14 79.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 65.0 mtt -93.74 9.25 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.54 137.62 46.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.954 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -60.68 -46.83 88.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.467 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.69 -22.44 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.001 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -78.33 -43.17 28.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.303 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.74 -44.66 80.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.157 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.59 -49.54 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.4 -51.82 66.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.673 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -54.3 -47.43 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.686 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 45' ' ' MET . 79.4 ttt180 -70.75 -36.1 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.523 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -60.1 -45.48 92.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.684 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -78.54 -38.11 41.29 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 42' ' ' ARG . 14.0 ptm -61.32 -26.33 67.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.157 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -57.21 -31.37 65.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.228 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -97.43 -36.21 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.347 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.9 m-85 -59.03 -50.1 75.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.504 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -16.43 47.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 -179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.8 -47.37 15.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.743 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -63.86 -36.14 82.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -80.88 85.63 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.22 89.37 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.2 p -142.41 165.82 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -71.77 -47.65 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.79 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.88 150.87 26.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -120.65 -179.54 4.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -132.33 168.31 18.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -80.81 -9.57 59.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.103 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.82 -14.45 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 111.197 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -71.17 -21.6 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 88.3 m -73.86 -52.29 4.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.629 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.0 Cg_endo -65.14 -38.98 25.3 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.066 1.844 . . . . 0.0 112.221 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.9 -44.18 97.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.732 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -60.15 -45.26 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -60.22 -38.04 82.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.784 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.37 -34.31 77.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.592 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.4 t80 -69.22 -36.99 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.7 mm -74.07 -29.7 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.0 t -86.99 -29.59 21.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.47 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -90.6 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.443 HG21 ' CE1' ' A' ' 69' ' ' TYR . 43.0 t -73.83 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.8 tm-20 -52.25 -43.52 64.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.718 0.294 . . . . 0.0 111.037 -179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -65.65 -37.58 86.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.669 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -56.08 -45.31 79.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.58 -47.98 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.45 -41.38 85.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.502 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.638 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.14 -33.42 69.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.536 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 28' ' ' LEU . 99.1 mt -77.67 -37.9 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.36 -24.78 65.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.37 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.3 -27.3 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -109.74 -28.06 9.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.09 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 44.1 mt -126.68 95.07 38.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -3.84 13.87 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.406 2.071 . . . . 0.0 112.715 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -113.97 7.13 16.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 52.1 t80 -64.59 142.21 58.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.504 ' H ' ' ND2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.66 92.08 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.919 179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -59.91 -24.97 64.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.78 -56.84 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.56 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.408 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -66.86 -50.97 60.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.807 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.8 p -64.38 -39.06 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 55.1 m -59.28 -43.55 92.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 85.5 m -77.09 -29.19 54.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.9 -37.19 81.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.736 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.4 -36.19 42.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.673 0.273 . . . . 0.0 111.234 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -81.27 -41.86 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 0.0 110.247 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -70.46 -0.58 8.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.692 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.85 -20.16 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.241 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -78.05 -20.03 53.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.829 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -100.99 -61.2 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -60.22 158.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.021 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.61 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.75 -30.84 78.18 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.7 -36.21 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.646 0.26 . . . . 0.0 111.306 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 90.3 mt -73.37 -49.44 37.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.659 0.266 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.4 t80 -64.39 -28.68 69.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 113' ' ' LEU . 15.3 t70 -48.92 -33.54 11.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 40.9 ttp -72.7 -46.27 54.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.952 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 69.2 mt -64.68 -22.66 67.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.348 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.2 mt -49.98 -26.74 4.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.145 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.8 p -55.65 -2.6 0.05 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.8 m-85 -64.44 -25.02 67.82 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.761 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -156.18 -23.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.635 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.65 83.31 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -56.58 -24.21 45.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.212 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.25 -45.61 79.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -26.74 56.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.092 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -55.13 18.06 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.817 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.583 ' HE2' HD21 ' A' ' 126' ' ' LEU . 21.0 tptm -67.12 -43.32 82.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.982 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.19 -34.01 73.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.751 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -47.67 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.722 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -59.6 -38.75 82.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.216 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.583 HD21 ' HE2' ' A' ' 122' ' ' LYS . 66.8 mt -63.58 -41.21 98.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.05 -45.55 93.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.49 -38.07 79.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -69.05 -34.86 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.038 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.42 -23.41 66.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.766 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -63.69 -23.18 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.27 -24.14 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.49 33.22 86.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 58.88 18.33 6.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.492 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -130.96 -39.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.61 144.82 43.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.0 tp -83.42 -70.06 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.74 -37.54 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.93 89.89 0.77 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.179 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.88 108.55 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 111.046 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.0 p -163.26 118.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 59.28 101.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.176 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.97 -33.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 11' ' ' LEU . 3.8 mm? -99.05 170.27 8.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.1 p -148.75 -5.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 63.8 156.85 0.07 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.239 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -171.33 -169.33 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m 65.47 -79.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.95 -16.59 7.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.585 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.4 m -130.41 24.99 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -153.95 -84.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.37 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.12 -57.25 6.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.26 -43.35 98.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.999 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -57.89 -52.27 66.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.0 -34.49 65.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.81 96.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.887 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.35 -40.41 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.04 -42.23 82.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.95 -46.11 94.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.142 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -58.54 -35.58 72.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.737 0.303 . . . . 0.0 110.767 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.06 -43.92 97.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.732 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.9 -40.59 80.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -61.44 -32.82 72.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.94 -37.76 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.3 mt -63.42 -29.73 48.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -97.66 -2.74 40.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.46 129.35 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.767 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -55.45 -44.53 76.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.514 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.4 -30.22 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.198 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -70.5 -42.47 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.62 -48.06 73.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.156 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.24 -41.56 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.26 -29.42 62.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.472 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HB3' HH11 ' A' ' 42' ' ' ARG . 6.2 tp-100 -66.14 -47.03 75.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.55 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 41' ' ' GLN . 10.8 mpt_? -74.64 -32.89 62.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.724 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.67 -47.9 84.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 111.468 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -76.24 -49.89 15.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.481 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.2 mtp -56.18 -24.55 42.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.65 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.17 -31.38 68.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -97.6 -39.92 8.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.109 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -55.73 -49.2 73.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.031 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -14.96 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.668 0.271 . . . . 0.0 111.459 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.45 -48.82 11.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.747 0.308 . . . . 0.0 111.079 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.24 -34.87 78.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -74.97 87.32 2.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -103.2 152.38 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.64 93.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -134.26 168.66 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.3 -14.12 15.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -82.76 135.23 35.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -89.58 111.36 22.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -94.3 148.42 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.23 -13.13 59.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.4 tp -64.99 -17.68 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 121.009 0.433 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -70.53 -24.62 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.6 m -68.64 -52.75 18.09 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.6 Cg_endo -66.16 -40.84 14.36 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.044 1.829 . . . . 0.0 112.371 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.28 -46.76 94.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.888 0.375 . . . . 0.0 111.008 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.766 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -61.19 -29.38 69.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.46 -38.56 84.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.645 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 52.8 t80 -69.75 -36.09 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.728 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.573 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.5 mm -73.82 -29.09 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -90.26 -26.88 19.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.58 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -90.25 -62.71 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 47.6 t -73.2 -60.99 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.9 tt0 -52.12 -37.94 55.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.592 0.234 . . . . 0.0 111.497 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -70.73 -36.52 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -59.91 -48.77 80.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.15 -45.99 97.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.355 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.38 -50.6 72.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.496 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 12.2 mm-40 -56.76 -47.68 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.708 0.29 . . . . 0.0 111.512 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.37 -33.25 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 0.0 112.111 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.4 mt -78.06 -39.92 40.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.126 0.488 . . . . 0.0 111.19 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -65.87 -22.84 66.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.302 -179.057 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.4 mm100 -52.15 -26.45 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -117.67 -20.82 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.037 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.8 mt -122.77 92.83 48.89 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.15 -5.33 16.6 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.395 2.063 . . . . 0.0 112.537 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.65 16.65 18.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.461 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -63.33 148.41 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.387 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.39 89.05 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.544 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.4 tpt -66.03 -24.92 66.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.076 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.69 11.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.322 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.05 -28.85 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.285 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -66.28 -50.28 64.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.019 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 39.9 p -63.44 -44.93 93.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 89.0 m -55.81 -44.25 77.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 56.3 m -73.33 -33.36 65.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -35.96 81.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -50.37 -42.24 52.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.919 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -97.39 -29.11 13.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.549 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.28 -6.12 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.443 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.82 -18.7 57.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.11 -18.32 57.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.926 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.77 -66.31 1.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 3.1 p -55.13 148.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.992 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.88 108.27 0.2 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.287 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.05 -30.96 76.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.405 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -63.45 -42.37 98.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 81.0 mt -68.19 -49.64 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -65.46 -28.34 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -48.34 -29.66 4.15 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.822 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.7 ttp -71.17 -51.38 25.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.319 0.58 . . . . 0.0 109.84 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' CE2' ' A' ' 115' ' ' PHE . 88.2 mt -66.05 -23.1 66.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.619 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.6 tp -50.59 -27.15 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.91 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -59.58 2.26 0.07 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.174 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.1 m-85 -64.52 -33.63 76.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.749 0.309 . . . . 0.0 110.791 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.2 p -138.2 -33.18 0.7 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.587 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -68.0 86.27 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.31 -30.34 69.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.277 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.06 -39.16 88.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -63.93 -54.66 31.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.749 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.84 -44.47 85.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -60.59 -31.51 70.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -66.32 -47.5 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.999 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -66.17 -43.65 86.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.66 -43.06 84.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -62.19 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 110.477 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -63.53 -33.79 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -68.05 -43.41 78.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.81 -35.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.7 -29.65 70.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 3.7 mmmp? -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.58 -29.87 70.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.018 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.77 -37.55 3.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -89.85 142.72 27.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.556 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 tpt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.747 0.308 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -134.5 140.36 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.1 130.85 14.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.266 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.17 -2.94 58.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.45 145.94 36.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.027 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.41 -55.75 0.53 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.91 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -105.45 131.34 52.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.259 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t 59.21 99.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -77.76 -52.96 8.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.27 130.27 42.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.995 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.7 mp -75.25 -11.15 60.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -77.26 161.73 27.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -97.14 7.68 46.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.8 m -77.89 111.39 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.8 m -79.28 -16.73 55.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -55.22 30.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.293 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.9 m -86.36 9.04 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -103.17 167.1 10.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.969 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -23.39 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.37 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.48 -47.35 79.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.068 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.12 -48.44 70.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -56.79 -41.53 77.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.16 90.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.027 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 45.6 t -60.18 -41.76 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.53 -41.16 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.797 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.79 -43.85 98.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.072 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -67.9 -29.23 68.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.656 0.265 . . . . 0.0 110.763 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 24' ' ' VAL . 77.9 mt -64.94 -48.38 74.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.92 -34.65 78.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.37 -40.26 95.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.7 mt -70.75 -37.89 70.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.34 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -61.47 -41.91 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.269 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -88.36 1.88 53.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.528 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.53 130.5 44.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.69 -50.76 69.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.433 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.86 -27.37 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.016 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -75.6 -41.07 55.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.93 -36.71 82.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.781 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.52 -42.13 78.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.813 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -72.48 -36.4 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.195 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -61.18 -48.75 80.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.363 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -76.69 -39.22 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.638 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.9 mtp -58.78 -27.01 64.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.47 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 20.8 tptm -92.64 -46.59 7.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 0.0 111.031 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -55.56 -46.79 77.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.978 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -18.86 64.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.57 0.224 . . . . 0.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 75.0 mt -76.86 -50.34 13.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.671 0.272 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' HG3' ' A' ' 47' ' ' LYS . 1.0 OUTLIER -66.86 -37.77 85.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.73 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.12 88.87 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.09 162.6 15.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -76.43 8.78 3.13 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.3 p -65.58 140.82 58.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.53 -1.99 48.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -77.83 155.86 30.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 0.0 111.205 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.76 139.59 45.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.689 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -130.13 160.07 34.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.0 -12.03 59.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -68.63 -14.87 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.413 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -71.69 -20.41 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.574 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.681 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 53.8 m -76.29 -52.34 2.41 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.6 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.4 Cg_exo -63.01 -40.8 32.06 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 122.028 1.819 . . . . 0.0 112.044 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.94 -45.81 95.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.272 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -59.96 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.317 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -60.99 -31.12 70.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.98 -36.91 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -70.58 -40.13 73.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.308 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.6 mm -73.17 -28.98 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.757 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.7 t -88.31 -29.97 19.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.601 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.51 -61.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.6 t -72.69 -61.88 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.22 -40.66 64.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.773 0.321 . . . . 0.0 111.135 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -70.12 -32.48 70.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.0 -51.23 68.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.554 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.2 mt -59.96 -40.06 81.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.502 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -61.51 -50.74 71.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.365 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.1 mt-10 -60.82 -41.33 95.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.747 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -63.09 -33.75 76.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.75 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 63.1 mt -78.47 -37.87 42.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.103 0.478 . . . . 0.0 111.114 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.78 -23.4 64.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.685 -178.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.5 mt-30 -55.27 -20.57 11.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.866 0.365 . . . . 0.0 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -118.92 -14.62 9.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.815 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.9 mt -135.62 90.89 18.96 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.46 -2.63 12.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.516 2.144 . . . . 0.0 112.591 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -113.35 8.28 17.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 82' ' ' LEU . 43.6 t80 -63.33 147.99 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.135 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -134.99 87.22 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 ttt -60.06 -20.66 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.232 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -56.48 11.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.817 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.49 -26.1 62.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.009 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 85.0 t80 -67.77 -44.31 77.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -67.67 -49.09 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.345 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 37.0 m -56.74 -39.13 73.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 93.2 m -76.43 -31.68 58.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.87 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -61.69 -36.04 79.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.945 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -50.6 -26.5 5.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.409 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -96.16 -36.5 10.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.488 . . . . 0.0 110.175 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -69.5 -3.27 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -62.44 -20.96 65.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 110.191 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -79.36 -19.35 50.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.746 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.09 -61.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.169 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.9 m -68.2 -178.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.46 107.32 13.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.11 -30.71 76.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -63.1 -39.21 94.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.471 0.177 . . . . 0.0 111.391 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.3 mt -71.29 -50.23 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.657 0.265 . . . . 0.0 111.314 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -65.48 -28.84 69.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.68 -30.87 5.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.9 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.27 -49.71 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.077 0.465 . . . . 0.0 109.797 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.5 -23.41 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.418 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.98 -26.82 6.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.219 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.1 p -57.57 1.78 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 113' ' ' LEU . 13.2 m-85 -64.36 -28.77 69.93 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.728 0.299 . . . . 0.0 110.785 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.6 p -141.21 -27.75 0.68 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.566 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.58 85.39 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.055 0.455 . . . . 0.0 111.317 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -60.38 -26.0 66.31 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.9 mm? -63.46 -40.95 98.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.742 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.25 56.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.892 0.377 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -63.74 -54.84 29.11 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.696 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -65.46 -45.36 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.7 -28.29 68.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.731 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.8 ttp -68.84 -45.63 70.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.12 -44.82 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.538 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.79 -53.01 63.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.721 0.296 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.55 -33.12 74.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -60.77 -45.81 92.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.752 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -63.55 -40.78 97.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.02 -35.81 71.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.88 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.89 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 4.3 mmmp? -63.34 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.156 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -108.1 3.87 24.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -140.44 60.47 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.476 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.54 178.54 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.821 0.343 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.55 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.805 0.336 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -104.69 -58.68 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.24 155.12 33.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.5 pt? -67.37 173.33 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -104.24 -46.62 4.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.677 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.24 24.01 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.375 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.48 179.66 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.3 p -116.03 142.71 46.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -66.31 166.79 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.84 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.3 mp -92.22 111.0 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -102.49 152.95 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.81 -19.52 65.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -76.49 113.91 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.827 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -150.88 -27.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.27 -14.95 44.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.2 t -120.44 10.51 11.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -133.35 -95.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -56.94 6.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.589 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 24' ' ' VAL . 42.1 tt0 -58.64 -30.97 67.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.008 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -58.49 -52.59 65.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.624 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.68 -37.19 78.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.766 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.46 88.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.7 t -63.91 -44.28 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -55.66 -36.84 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.561 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.27 -45.82 76.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.165 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.58 -36.77 79.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 110.67 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HD11 ' A' ' 81' ' ' LEU . 80.4 mt -63.51 -46.07 87.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.82 -43.04 76.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -59.19 -32.64 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.5 mt -78.87 -39.22 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.372 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.99 -34.9 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.051 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 62.3 mtm -91.89 6.32 46.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.144 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -75.02 132.18 41.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.602 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.74 -51.66 67.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.486 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.5 -26.38 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.216 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -74.58 -39.75 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -68.44 -34.73 76.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.953 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 tp -69.07 -43.65 74.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -52.19 64.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.283 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.49 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -62.0 -37.9 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.494 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -56.88 -48.3 78.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.295 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -74.85 -37.27 62.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.59 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 77.7 mtp -59.57 -25.86 64.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.79 -31.13 70.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -96.61 -43.54 7.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -54.31 -49.52 69.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.661 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -19.94 59.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.667 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.69 -46.51 18.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.991 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -30.09 65.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -76.69 87.65 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.91 157.83 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.811 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.05 7.79 6.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -68.06 149.39 49.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.97 -27.52 49.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -70.16 132.79 46.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -98.96 155.89 17.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.772 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -130.52 168.07 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 60' ' ' LEU . 6.2 mp -80.23 -12.87 59.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.142 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -64.54 -21.71 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.009 0.433 . . . . 0.0 110.963 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -72.15 -14.0 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.214 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 59.4 m -76.21 -52.99 2.3 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.318 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 63' ' ' THR . 39.4 Cg_endo -67.2 -37.59 17.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.017 1.811 . . . . 0.0 111.843 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.52 -45.34 98.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.634 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -62.59 -45.67 91.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.34 -32.28 68.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.57 -37.59 73.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.676 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.22 -37.83 81.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 45.1 mm -73.81 -29.19 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.492 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.1 m -89.0 -26.91 21.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.346 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -90.74 -62.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.8 t -73.22 -61.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.4 tt0 -53.2 -44.9 68.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 111.501 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -64.75 -37.27 87.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.678 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -57.57 -47.78 81.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.09 -40.4 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.78 -47.55 85.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.255 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 24.3 mm-40 -61.79 -43.03 99.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -58.47 -36.97 74.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.15 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 HD11 HD21 ' A' ' 28' ' ' LEU . 94.5 mt -77.45 -34.05 54.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.06 -23.58 65.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.093 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 25.0 mt-30 -56.21 -25.78 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.09 -24.81 5.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.236 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.6 mt -126.38 84.33 62.34 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.961 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.66 -3.23 7.58 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.639 2.226 . . . . 0.0 112.655 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -112.81 16.97 19.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -84.37 147.92 26.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.44 110.87 8.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.724 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 87.6 mmm -64.61 -26.83 68.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.333 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.24 -57.89 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.213 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.6 73.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.401 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -64.13 -51.12 65.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 39.5 p -62.16 -37.73 86.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.245 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.4 m -57.63 -49.1 77.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 86.8 m -73.24 -29.31 62.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -36.94 82.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -51.07 -41.6 60.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.068 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -78.14 -41.06 36.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.045 0.45 . . . . 0.0 110.314 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.45 -2.83 12.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 39.7 ttpt -63.41 -17.17 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.469 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -77.6 -22.73 50.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -101.59 -58.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.3 p -59.81 162.21 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.322 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -60.66 109.74 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.95 78.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.526 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.87 -40.84 95.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.658 0.266 . . . . 0.0 111.246 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 105' ' ' ALA . 65.1 mt -69.03 -50.16 56.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.33 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 11.6 t80 -65.02 -28.84 69.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 113' ' ' LEU . 17.8 t70 -48.6 -31.24 6.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.129 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.54 -49.14 34.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.27 0.557 . . . . 0.0 110.197 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 95.8 mt -65.1 -22.17 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.321 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 110' ' ' ASP . 19.3 mt -49.69 -26.99 4.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.321 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -54.14 -5.91 0.08 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.419 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.6 m-85 -64.5 -34.48 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.663 0.268 . . . . 0.0 111.16 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.5 p -138.3 -24.14 0.98 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.575 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.32 78.14 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.007 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -58.19 -28.44 64.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -43.2 99.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.36 -27.34 56.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -64.29 -54.67 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.714 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.92 -47.01 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.36 -31.37 71.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.2 ttp -64.05 -47.52 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.732 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -63.05 -39.76 95.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.25 -30.14 71.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.658 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -72.14 -40.47 68.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.471 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -66.36 -33.69 76.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.366 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -70.43 -40.72 73.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.25 68.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -66.73 -17.65 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.07 -4.24 27.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -85.4 -22.81 28.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.64 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.91 -14.1 21.9 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.465 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 58.08 91.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.832 0.349 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.495 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.797 0.332 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -102.26 163.26 12.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.41 -51.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 pt? -124.2 2.89 8.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.752 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -140.79 159.14 42.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 123.55 -156.25 17.78 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.524 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -88.45 -174.54 4.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.745 0.307 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.47 114.63 27.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.002 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -120.2 -174.19 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.35 178.96 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.58 116.68 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -157.66 150.38 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -122.58 -60.75 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.0 m -145.36 -174.83 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -94.3 26.53 3.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -63.77 -9.19 13.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.8 p -120.31 4.45 10.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.171 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -130.71 -93.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.243 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.15 -57.38 6.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.619 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 42.4 tt0 -58.23 -34.79 70.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.562 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -56.92 -50.91 71.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -56.04 -41.44 75.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.09 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 20' ' ' GLU . 57.7 t -58.4 -52.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.8 t -50.18 -37.64 14.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.83 -45.83 94.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.239 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -60.18 -50.85 72.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.646 0.26 . . . . 0.0 111.234 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD13 HG12 ' A' ' 24' ' ' VAL . 9.4 mp -53.16 -47.27 68.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.258 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.8 -40.39 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -65.45 -32.51 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.8 mt -77.3 -39.13 27.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.302 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.2 -30.94 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 15.6 ptp -91.26 -3.75 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.7 132.93 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.777 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.26 -50.01 72.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.416 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.22 -30.73 66.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -70.43 -47.41 60.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -58.2 -36.92 73.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 tt -69.06 -41.74 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.77 -50.66 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -58.56 -51.47 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.901 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 14.5 mmm180 -65.7 -35.22 80.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.58 -49.46 77.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.82 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -78.92 -42.52 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.6 ppp? -56.62 -26.79 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.035 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.27 -30.97 70.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.5 tptp -95.24 -43.69 7.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -53.65 -49.37 68.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.761 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -18.37 57.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.56 0.219 . . . . 0.0 111.326 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.3 mt -80.52 -41.77 23.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.729 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -69.41 -37.85 77.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -80.65 83.77 6.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -96.5 150.29 20.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.32 96.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.9 p -130.05 177.98 6.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 12.3 pt-20 -103.05 -17.04 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 41.8 mt-10 -104.8 142.31 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.964 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -98.05 132.08 43.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 8.8 mtmp? -100.72 159.49 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.5 tp -79.53 -10.3 59.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -64.88 -17.72 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.262 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -70.85 -20.54 62.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.325 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 62.6 m -73.7 -52.85 4.59 Favored Pre-proline 0 CA--C 1.534 0.335 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.9 Cg_endo -65.61 -40.57 17.42 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.08 1.854 . . . . 0.0 112.298 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -61.47 -45.74 98.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.848 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.84 -39.37 88.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.757 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.66 -33.3 75.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -69.9 -35.4 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -69.15 -39.22 78.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.595 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.6 mm -73.9 -28.84 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.356 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 67.7 m -85.39 -29.9 24.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.499 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -90.54 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.79 -61.09 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.96 -48.6 64.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.642 0.258 . . . . 0.0 111.54 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.3 mmtp -62.48 -40.25 96.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -56.91 -36.21 69.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.795 0.331 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.2 mt -70.55 -50.31 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.88 -42.5 89.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.425 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.6 mm-40 -61.21 -50.71 71.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.5 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.3 -32.1 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.349 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.61 -38.09 48.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.487 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.53 -25.58 65.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.338 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 83.1 mm-40 -59.87 -18.22 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.314 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -121.68 -27.6 4.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.264 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 30.4 mt -126.51 92.56 44.89 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.16 -3.2 12.42 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.273 1.982 . . . . 0.0 112.513 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -113.92 12.33 18.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 56.5 t80 -75.04 137.82 41.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.263 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -119.29 99.7 6.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -33.22 74.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.266 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.68 -57.33 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.462 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.47 70.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -65.6 -50.8 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.346 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.2 p -61.55 -41.61 97.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.372 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 95.3 m -55.3 -48.2 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.337 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 m -74.18 -29.38 61.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.394 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.36 -36.38 83.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.334 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -50.74 -44.79 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.321 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -91.26 -32.31 15.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.727 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.61 -2.88 15.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.486 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 104' ' ' VAL . 27.6 ttpp -61.97 -18.61 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.6 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' OD1' ' HG2' ' A' ' 103' ' ' GLU . 10.1 p30 -72.32 -2.56 19.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' HG2' ' OD1' ' A' ' 102' ' ' ASP . 15.2 mm-40 -117.19 -60.19 1.86 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.035 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -64.0 158.83 3.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.21 107.4 0.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.64 -30.68 75.41 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.443 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.56 -35.96 82.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.559 0.218 . . . . 0.0 111.297 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.1 mm -74.16 -49.88 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.374 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -65.98 -29.32 69.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.399 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -48.72 -29.38 4.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.784 0.326 . . . . 0.0 110.915 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -72.85 -50.75 22.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.118 0.485 . . . . 0.0 109.765 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.09 -23.07 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.749 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.2 tp -50.63 -27.45 6.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.169 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -63.97 6.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.076 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.4 m-85 -64.97 -34.99 79.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -142.81 -18.21 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.574 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.56 86.53 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -56.71 -29.2 62.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.18 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.28 -42.37 93.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.268 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.66 -26.83 60.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.948 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.33 -54.45 20.55 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -64.34 -43.6 94.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.732 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.95 -31.76 71.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 64.3 ttp -65.09 -47.73 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -64.46 -48.87 73.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.7 mp -57.96 -29.41 65.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.76 -45.45 68.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.557 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.85 -37.84 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -68.17 -35.1 77.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.393 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.33 79.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.81 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.73 -28.11 69.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -69.6 -8.2 45.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.958 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.51 4.0 38.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -133.61 12.83 4.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -72.31 -62.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.313 -1.27 . . . . 0.0 112.476 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 tpp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -111.61 -174.0 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.23 16.88 5.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.9 tp -127.72 -34.61 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.12 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.05 112.0 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.91 -158.93 21.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -113.52 167.34 10.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.5 p -147.88 101.02 3.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -140.85 -10.47 1.01 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.755 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.38 17.05 6.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.388 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -103.72 115.02 29.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -168.74 125.53 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.6 -64.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 49.0 m -80.47 -31.22 37.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.2 m 62.95 -83.3 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.228 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -23.77 51.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.441 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' SER . 57.6 m -119.88 22.52 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 14.5 t70 -148.0 -89.59 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.303 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.39 -57.32 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.581 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -59.27 -35.29 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.793 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -56.55 -54.46 45.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.761 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -58.28 -33.78 69.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.38 81.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' O ' HD23 ' A' ' 28' ' ' LEU . 42.4 t -60.2 -49.66 83.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.898 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.1 t -50.72 -36.99 15.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.652 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.92 -40.12 93.46 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.088 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 27.1 m-85 -62.06 -52.6 63.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.527 0.203 . . . . 0.0 110.858 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 24' ' ' VAL . 3.3 mm? -51.12 -46.93 62.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.217 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.33 -44.25 75.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.49 -33.73 75.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.672 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -71.36 -34.06 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.839 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -64.96 -41.62 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.075 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.7 mtm -86.61 10.7 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.66 131.88 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -55.27 -53.14 59.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.436 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.85 -27.74 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.318 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -72.55 -44.18 62.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.87 -34.23 77.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.672 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -48.76 61.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.663 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 7.9 tt -64.9 -49.01 72.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.302 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -56.72 -49.42 75.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -66.1 -32.18 73.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.26 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.8 -48.81 78.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.479 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -77.59 -45.26 25.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.488 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -56.46 -24.98 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.224 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.43 -31.0 70.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.89 0.376 . . . . 0.0 110.795 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 21.2 tptm -94.08 -44.57 7.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -54.16 -53.8 48.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.551 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -20.25 22.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.555 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 82.5 mt -79.4 -41.74 27.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -70.31 -39.45 74.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.194 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -78.76 86.05 4.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -97.42 152.97 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.428 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.26 88.52 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -130.74 -171.5 2.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.077 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.65 6.76 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.144 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -101.24 143.11 31.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.566 HD22 ' N ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -98.28 112.09 24.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.983 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -98.62 156.18 16.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.986 0.422 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.12 -8.94 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.05 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.416 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -71.26 -15.65 18.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -71.47 -16.46 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.17 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.49 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.5 m -76.19 -52.8 2.36 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.358 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.6 Cg_endo -65.39 -40.45 18.82 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.025 1.817 . . . . 0.0 112.037 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.14 -48.1 89.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.939 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' HG12 ' A' ' 70' ' ' ILE . 78.8 t80 -60.0 -51.57 69.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -55.27 -32.61 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.33 -39.97 89.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.532 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 73' ' ' VAL . 46.6 t80 -69.43 -32.51 71.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.723 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.7 mm -74.17 -29.01 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.738 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -94.11 -25.13 17.28 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 40' ' ' LEU . 3.2 tm? -89.87 -62.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 ' CE2' ' A' ' 69' ' ' TYR . 39.5 t -73.45 -59.54 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 39.3 tt0 -51.85 -40.82 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.488 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.65 -30.6 63.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.672 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -62.53 -40.88 98.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.2 mt -69.45 -51.45 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.6 tt0 -55.02 -50.38 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.569 -179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 20.9 mm-40 -56.25 -52.73 63.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -60.12 -29.07 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 HD22 ' A' ' 28' ' ' LEU . 92.0 mt -78.64 -41.36 31.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.75 -23.24 64.3 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.771 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 93.4 mt-30 -56.25 -18.63 11.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -123.47 -10.77 7.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.978 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.06 91.7 23.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -74.0 -4.52 15.55 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.319 2.012 . . . . 0.0 112.409 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -113.8 12.74 18.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.17 146.46 54.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.437 ' C ' HD22 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -132.04 94.53 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.172 179.514 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -36.44 76.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.466 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -62.05 -58.2 8.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.568 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.15 -27.53 66.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.52 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 54.6 t80 -68.46 -45.66 71.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.9 p -66.51 -39.33 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.418 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.5 m -59.21 -43.18 92.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.3 m -77.52 -29.13 52.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.307 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 3.3 tt -66.79 -48.93 67.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.907 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -51.64 -21.79 2.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.489 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -99.66 -38.72 8.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.477 . . . . 0.0 110.373 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -2.31 16.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -64.23 -17.61 63.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.179 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.46 -15.12 61.81 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -104.57 -57.39 2.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 m -65.06 -177.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.32 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.17 108.24 13.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -58.02 -30.71 63.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.305 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -65.62 -33.08 75.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.663 0.268 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.5 mm -73.58 -50.12 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.226 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -48.53 -27.95 3.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.953 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.5 ttp -72.46 -52.19 16.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.227 0.537 . . . . 0.0 109.798 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.67 -22.81 66.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.655 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.8 -27.48 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.291 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -63.2 6.0 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.83 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.1 m-85 -64.69 -34.31 78.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.613 0.244 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.3 t -143.66 -24.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.614 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -69.53 88.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.936 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.0 -33.18 70.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.87 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.821 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.38 -29.95 57.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.33 -54.17 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.742 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.58 -48.06 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -56.34 -32.24 64.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.9 ttp -66.28 -47.25 74.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -64.14 -45.31 89.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.267 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.03 -34.62 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.29 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -70.64 -41.34 72.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -68.06 -36.2 79.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.662 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -69.65 -42.39 74.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.707 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.9 -30.07 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.94 -23.6 65.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 1.4 mmmp? -68.01 -26.59 65.97 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.743 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -87.34 -7.97 57.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.54 52.65 4.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.45 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -129.05 -63.55 0.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 111.056 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.38 -179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -82.01 -59.71 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.73 139.82 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.1 tp -102.11 -44.27 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -135.47 -25.26 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.9 172.25 19.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.656 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -106.37 -25.54 11.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.957 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m -56.71 -27.77 59.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -81.79 117.59 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.86 129.56 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.333 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.5 mt -103.76 6.41 36.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.804 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -86.08 137.06 32.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -165.11 127.44 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.755 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.4 t -69.84 127.92 34.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.7 m -147.87 -22.52 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -72.74 -30.26 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.9 p -100.42 12.31 37.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -118.07 -176.37 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.048 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.25 67.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -56.51 -44.35 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.494 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.6 t80 -55.31 -43.57 74.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.724 0.297 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -65.65 -37.32 86.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.052 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -47.62 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.341 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.33 -45.52 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' PHE . 84.3 t -58.97 -36.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.45 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.11 -48.55 85.39 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.224 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -57.21 -37.99 73.05 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.554 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 25' ' ' VAL . 97.1 mt -58.87 -45.98 88.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.652 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.57 -41.29 80.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.53 -32.86 71.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -78.27 -36.93 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -68.21 -30.52 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 61.6 mtt -94.23 4.74 53.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.994 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -72.84 132.64 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.569 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -58.74 -48.11 82.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.496 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.23 -25.75 67.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -74.39 -37.59 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.16 -40.74 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.27 -43.72 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.81 -44.43 89.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.957 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.19 -53.72 54.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.341 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -65.93 -32.81 74.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.534 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -57.38 -49.1 77.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.373 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -78.29 -40.27 37.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.428 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.408 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.2 mtp -57.4 -25.3 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.214 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -60.94 -31.15 70.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -96.13 -37.01 10.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.297 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.9 m-85 -55.97 -53.87 51.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.886 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -61.26 -16.64 47.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.526 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.2 -39.96 24.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.818 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.29 -32.15 49.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -72.27 88.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.79 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -95.88 139.24 32.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -76.1 97.12 4.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.0 p -126.83 -173.99 3.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.3 -8.31 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -115.41 148.85 38.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -83.43 131.29 35.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.38 156.05 17.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.653 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.13 -15.36 58.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.7 -18.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -71.18 -19.92 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.26 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 76.6 m -71.69 -52.64 8.01 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 37.9 Cg_endo -66.73 -42.93 8.07 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.089 1.859 . . . . 0.0 112.145 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.0 mt -61.31 -43.66 96.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -63.01 -47.92 81.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.821 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -59.94 -25.62 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -73.17 -42.25 62.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CE1' HG21 ' A' ' 73' ' ' VAL . 64.1 t80 -68.13 -41.72 81.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -70.89 -28.46 33.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.639 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -37.91 19.36 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -88.92 -62.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.9 t -63.4 -57.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.3 tt0 -52.24 -40.94 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.621 0.248 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -75.63 -26.64 57.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.185 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -61.64 -49.96 74.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -68.29 -43.76 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 82' ' ' LEU . 42.8 tt0 -57.63 -50.84 71.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.49 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 43.5 mt-10 -59.02 -45.85 89.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.699 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.615 ' HA ' HE21 ' A' ' 83' ' ' GLN . 81.1 mm-40 -58.27 -35.03 71.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD11 HD21 ' A' ' 28' ' ' LEU . 95.7 mt -78.96 -37.7 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.119 0.485 . . . . 0.0 111.45 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.04 -23.2 64.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.838 -178.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.615 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.0 mt-30 -56.54 -19.98 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 111.096 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -124.29 -11.55 7.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mt -130.49 94.45 29.59 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.995 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.3 -7.13 17.79 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.497 2.131 . . . . 0.0 112.439 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.84 16.19 18.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.574 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -62.78 147.99 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.215 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -129.7 86.37 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.38 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 tpt -64.72 -23.19 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.124 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.04 -54.39 8.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -26.5 63.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -71.04 -45.05 64.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.212 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.6 p -65.04 -49.54 69.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.608 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -58.81 -36.91 75.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.758 0.314 . . . . 0.0 111.047 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 96.0 m -76.86 -30.18 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.05 -36.68 84.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.904 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -50.98 -40.16 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.226 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -79.31 -41.31 28.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.462 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.3 -0.05 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -66.68 -22.04 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.272 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.13 -7.85 58.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.79 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -111.94 -61.89 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.768 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.82 159.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -54.97 107.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.47 -30.7 78.61 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -64.46 -37.89 89.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.678 0.275 . . . . 0.0 111.189 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 105' ' ' ALA . 78.4 mt -72.61 -49.86 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.214 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 26.0 t80 -64.93 -28.58 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.128 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -47.68 -28.63 2.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.12 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.5 ttp -72.85 -52.42 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.095 0.474 . . . . 0.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 66.0 mt -66.12 -22.8 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.669 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.47 -27.6 6.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.155 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.7 p -59.78 -1.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.006 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.3 m-85 -64.54 -24.14 67.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.61 0.243 . . . . 0.0 111.041 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -144.78 -24.47 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.643 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -81.45 83.63 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.962 0.411 . . . . 0.0 111.362 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -60.9 -27.46 68.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.717 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -39.26 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.965 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.92 58.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.78 -54.08 44.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.7 -51.36 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.883 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.08 -29.33 65.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.183 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -65.69 -47.59 74.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -65.0 -42.17 94.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 mp -56.67 -42.6 79.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.736 0.303 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.47 -42.5 78.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.49 -35.24 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.992 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -68.1 -42.92 79.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.674 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.99 68.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -69.07 -22.22 64.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.751 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -74.71 -6.42 48.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.971 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -88.14 -6.1 58.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -105.42 -0.96 40.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -62.88 119.77 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.758 0.313 . . . . 0.0 110.784 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.401 -1.222 . . . . 0.0 112.57 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -110.22 159.67 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.18 127.61 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.04 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 80.5 mt -77.89 161.56 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -94.25 178.26 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.77 137.08 5.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.92 -1.0 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.713 0.292 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.0 m 56.64 -170.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -66.79 157.63 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 178.71 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.281 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.58 -29.43 69.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -86.95 159.78 18.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -127.69 118.54 24.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 15' ' ' SER . 43.4 t -134.07 -52.95 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 14' ' ' SER . 49.4 m 74.13 -38.79 0.41 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.713 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -83.69 -4.42 58.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.652 0.263 . . . . 0.0 111.517 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.2 m -120.83 23.27 10.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.604 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -148.42 -168.69 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.844 0.354 . . . . 0.0 111.311 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.56 -24.09 44.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.05 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.3 -47.05 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.661 0.267 . . . . 0.0 110.947 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.533 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 43.6 t80 -60.64 -44.7 96.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.688 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.59 -36.47 76.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.96 91.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.83 -45.64 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HA ' HD12 ' A' ' 28' ' ' LEU . 80.4 t -57.28 -36.4 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.748 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.41 -50.82 61.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.152 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -57.02 -32.85 66.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.365 . . . . 0.0 110.702 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.3 mt -65.53 -48.13 73.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.15 -42.7 73.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.78 -36.4 72.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.07 -42.24 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 28' ' ' LEU . 73.0 mt -58.78 -28.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.2 ttm -94.28 -21.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 26.3 t70 -50.68 131.9 25.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.014 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.527 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.406 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 39.2 tt0 -59.76 -24.16 63.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.63 -48.7 18.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.776 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -58.46 -35.11 71.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.999 0.428 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 39' ' ' LEU . 2.8 tm? -69.22 -43.49 73.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.349 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.27 -52.28 65.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.418 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.77 -52.39 65.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.029 -178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 11.1 tpp85 -64.27 -41.27 97.0 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -58.77 -48.1 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.619 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -74.97 -40.98 60.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.685 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.9 ptm -62.21 -24.76 67.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.694 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.34 -30.93 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.003 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 75.1 mmtt -97.35 -40.78 8.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -56.72 -49.96 73.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.714 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.7 OUTLIER -60.76 -17.04 46.45 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.322 -179.178 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 93.3 mt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.822 0.344 . . . . 0.0 110.53 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.26 -35.95 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -78.36 86.95 4.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -106.14 155.55 19.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.747 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -84.25 97.06 9.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.775 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 p -132.28 177.14 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -106.77 -5.8 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.38 138.58 31.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -88.03 118.89 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -114.92 134.62 55.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.21 -8.7 59.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.481 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -61.42 -15.1 12.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.394 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -70.24 -23.03 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.448 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 92.9 m -74.14 -52.72 4.14 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 34.7 Cg_exo -61.57 -46.95 12.61 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.052 1.835 . . . . 0.0 112.226 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.03 -46.24 91.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -57.46 -42.98 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.128 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -60.05 -37.25 79.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.709 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.14 -39.29 94.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.408 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.5 t80 -67.5 -36.33 80.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.351 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.0 mm -73.69 -30.83 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.522 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.9 t -86.52 -25.84 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -91.27 -64.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 69' ' ' TYR . 55.7 t -74.35 -62.04 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -54.0 -42.27 68.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.385 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' SER . 59.5 tttp -66.65 -36.93 83.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.684 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -57.25 -43.18 82.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.682 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.89 -47.3 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -46.55 88.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.649 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 50.0 mt-10 -60.33 -48.05 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.759 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.63 -35.69 72.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.341 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.16 -35.14 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.03 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.18 -26.44 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.7 mm100 -60.42 -18.78 53.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -119.14 -26.44 5.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mt -130.1 89.78 44.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -1.33 9.56 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.5 2.134 . . . . 0.0 112.289 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.0 16.32 18.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.537 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -81.86 144.65 30.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.244 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -127.07 97.78 5.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.307 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.3 tpt -61.45 -20.75 63.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.414 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.41 -58.4 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.53 64.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.229 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.9 -50.98 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.5 p -64.56 -37.26 86.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.2 m -58.07 -46.46 85.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 91.6 m -76.51 -29.83 56.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.99 -39.58 78.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.46 -33.66 32.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -88.44 -37.37 15.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -69.87 -4.65 21.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.73 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.2 -23.11 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.796 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -74.51 -4.06 34.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -118.41 -63.11 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.746 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.63 157.6 2.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -55.9 107.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.12 -30.57 77.89 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.421 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.91 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.565 0.222 . . . . 0.0 111.207 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 105' ' ' ALA . 79.6 mt -73.36 -49.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.704 0.288 . . . . 0.0 111.13 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -64.68 -29.04 70.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.17 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -48.37 -29.68 4.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -72.48 -51.11 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.482 . . . . 0.0 109.827 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.43 -22.96 66.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 46.1 tp -50.5 -26.97 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.148 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.8 p -60.26 4.8 0.05 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.8 m-85 -64.67 -30.9 71.92 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.71 0.29 . . . . 0.0 110.645 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.5 t -145.69 -23.41 0.46 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.62 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -70.62 87.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 0.0 110.731 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -57.84 -29.18 64.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.187 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -42.6 99.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.75 -26.74 59.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.24 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -67.89 -54.54 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -64.75 -45.89 84.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.33 -29.78 69.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.3 tmm? -67.06 -46.36 74.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.771 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 39.4 m-85 -66.35 -50.54 63.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.251 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -56.17 -32.95 64.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.77 -46.58 74.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.376 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -58.38 -40.44 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.612 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -67.75 -41.13 83.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.29 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.352 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -64.98 -29.89 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.86 -30.03 69.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -117.98 13.27 13.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.014 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.73 67.72 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -144.68 120.83 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.502 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -129.47 135.55 48.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.84 -168.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -85.94 2.14 47.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.678 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.36 173.35 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.07 56.32 0.73 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.407 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 62.67 -82.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.635 0.255 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -111.07 131.46 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -153.42 -45.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.88 161.78 24.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.329 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.2 mt -97.56 142.95 28.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.052 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.0 p -109.96 127.58 54.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -147.74 3.77 0.74 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -81.94 6.23 16.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.7 p -154.33 -31.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.53 -55.15 26.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -80.72 5.81 14.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.54 176.31 5.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.01 -23.45 65.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.51 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.64 -43.3 80.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.332 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.04 -48.7 64.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.733 0.301 . . . . 0.0 110.652 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.56 -42.48 88.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.39 87.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.39 -42.54 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.076 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.94 -41.45 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.77 -43.33 96.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.244 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.39 -35.49 79.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.775 0.321 . . . . 0.0 110.811 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.89 -45.07 87.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.89 -42.69 85.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.73 -32.79 65.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.8 mt -77.88 -37.81 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.61 -35.13 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.6 mtp -98.8 20.21 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.03 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -85.49 134.02 34.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.74 -46.57 81.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.399 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.98 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.173 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -74.95 -36.91 62.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.45 -42.62 74.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.224 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.94 -40.66 78.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.943 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.7 -43.81 71.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -61.34 -50.18 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -66.5 -32.07 73.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.263 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.91 -48.91 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.653 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -78.82 -44.19 23.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.674 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.99 -28.39 62.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.711 0.291 . . . . 0.0 111.013 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.53 -31.36 69.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 4.3 mptp? -91.89 -36.91 13.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -59.91 -55.12 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.969 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -16.96 11.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.564 0.221 . . . . 0.0 111.296 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.18 -42.81 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.655 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -69.91 -34.15 73.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.032 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -76.51 88.34 3.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.87 144.12 26.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.766 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.41 93.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 p -141.71 138.75 32.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.82 -45.46 92.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.03 127.31 30.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -81.95 139.36 34.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -111.83 154.81 24.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 tp -80.33 -10.4 59.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.559 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -68.83 -19.88 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.331 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.89 -20.57 63.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.485 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 52.7 m -73.32 -52.88 5.0 Favored Pre-proline 0 CA--C 1.534 0.355 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 33.9 Cg_endo -65.07 -39.14 25.09 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 122.034 1.823 . . . . 0.0 112.194 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.0 mt -60.27 -49.46 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.799 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -60.22 -38.59 83.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -63.15 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.842 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.88 -33.06 63.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.484 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CE1' HG21 ' A' ' 73' ' ' VAL . 39.8 t80 -70.1 -37.72 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.613 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -73.49 -29.25 26.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.913 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 78.3 p -85.45 -29.46 24.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.402 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.7 -62.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.427 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -73.27 -61.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.24 -38.84 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.661 0.267 . . . . 0.0 111.427 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 71' ' ' SER . 32.7 mmtp -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.776 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.8 -53.02 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.31 -43.76 98.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.46 -50.81 66.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.465 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 32.6 mm-40 -62.29 -46.55 88.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.524 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -57.95 -36.68 72.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.294 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.86 -36.61 64.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.23 -22.99 66.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.863 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 84.7 mm-40 -55.47 -30.06 59.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.245 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -120.33 -15.64 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.402 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.8 mt -135.63 85.91 29.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -70.61 -3.1 11.89 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.536 2.158 . . . . 0.0 112.418 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -113.45 16.86 18.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.756 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -69.2 147.91 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.359 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.446 HD22 ' HB3' ' A' ' 92' ' ' ALA . 1.8 p-10 -125.55 92.87 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.819 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -26.86 67.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.268 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -57.96 5.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.53 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.446 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -69.51 -29.5 67.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.494 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -65.62 -49.02 70.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.184 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.2 p -63.32 -44.19 95.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.441 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.8 m -55.41 -45.52 76.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.407 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.6 m -74.37 -30.89 62.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.371 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.79 -36.35 82.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -50.92 -35.0 30.88 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.985 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.8 p80 -102.29 -27.96 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.66 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -71.82 -6.76 43.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.496 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -65.25 -17.48 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -74.1 -2.42 24.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -115.7 -52.04 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.034 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 m -74.08 -172.53 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.82 107.52 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.18 -30.54 77.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.42 -40.24 95.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.241 . . . . 0.0 111.377 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 82.3 mt -70.52 -49.64 51.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.9 t80 -64.17 -28.48 69.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.56 -32.2 7.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.9 ttp -72.65 -48.12 41.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.175 0.512 . . . . 0.0 110.243 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.4 mt -63.49 -21.96 66.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.437 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.0 mt -49.34 -26.98 3.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.166 -179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.6 p -56.82 -2.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.4 m-85 -64.49 -26.4 68.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.634 0.254 . . . . 0.0 110.918 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.3 t -154.61 -27.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.56 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.24 85.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -58.2 -31.21 67.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.13 -42.33 94.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.661 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.42 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -67.08 -54.55 20.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -63.27 -46.73 85.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -61.0 -28.65 69.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -66.49 -47.06 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.725 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.62 -44.79 81.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.474 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.29 -33.21 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -68.76 -44.49 73.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.631 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -59.58 -45.95 90.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.775 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.02 -45.75 91.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.97 -49.1 63.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -23.21 53.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.464 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -18.71 63.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 110.47 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.76 -24.93 59.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.811 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.9 88.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.554 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -67.32 169.58 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.807 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.472 -1.182 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -120.24 176.01 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 101.27 3.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.974 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.8 mt -112.11 -61.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.02 140.37 53.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.73 -91.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.577 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -78.8 170.43 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.5 t -82.55 -26.59 32.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -89.08 131.44 35.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.817 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.18 3.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.045 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt 59.96 174.94 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.2 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -98.01 4.64 49.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.729 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 62.84 -84.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.6 p 49.15 33.68 5.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.3 p -145.13 -39.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.265 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -97.74 10.22 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.697 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -107.0 -172.25 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.67 65.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.72 -42.1 78.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.011 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -57.46 -45.42 84.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.867 0.365 . . . . 0.0 110.345 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.78 -38.76 79.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.595 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.16 -47.56 85.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.773 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.1 t -58.9 -40.63 80.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.903 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 83.1 t -59.81 -38.85 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.587 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -49.38 73.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.093 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -58.48 -38.71 78.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 110.528 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 81' ' ' LEU . 90.0 mt -60.59 -41.29 94.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.607 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 49.0 mt-10 -59.48 -44.6 92.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.81 -35.49 72.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.546 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.92 -43.41 89.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.61 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.17 -29.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 72.5 mtp -95.62 -8.08 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.95 129.84 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.95 -49.3 78.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.4 -26.98 63.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.784 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -36.74 63.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -66.35 -36.4 82.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.482 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -69.71 -40.42 76.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.393 179.549 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.595 HD21 HD11 ' A' ' 72' ' ' LEU . 3.4 tm? -62.75 -53.06 60.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.103 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.17 -48.17 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.567 . . . . 0.0 112.12 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -64.45 -38.89 92.61 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.45 -49.01 79.26 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -75.15 -43.06 54.61 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.457 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 73.9 mtp -58.94 -24.69 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 111.047 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.0 -30.99 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 26.0 tptp -98.14 -41.9 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.457 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.2 m-85 -53.31 -52.75 58.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.555 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -18.43 20.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.407 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 95.4 mt -81.27 -43.07 19.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.06 -41.6 90.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -73.86 89.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.928 0.394 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -107.62 148.01 29.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.672 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -72.93 95.37 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.9 p -139.91 -175.92 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.263 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -109.84 -30.07 8.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.7 120.8 25.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -92.04 122.72 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -93.39 163.97 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.07 -12.79 59.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -65.96 -13.72 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.995 0.426 . . . . 0.0 111.13 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -69.64 -26.67 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.489 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.659 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 68.6 m -73.03 -52.5 5.54 Favored Pre-proline 0 CA--C 1.533 0.323 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.6 Cg_exo -59.85 -45.44 24.68 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.819 1.679 . . . . 0.0 111.984 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 99.4 mt -57.43 -46.23 85.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.92 -42.14 99.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.492 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -64.93 -24.44 67.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.665 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.07 -36.46 55.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.712 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 66.5 t80 -66.44 -38.27 87.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -73.72 -43.7 53.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.553 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.9 m -70.21 -33.47 71.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.823 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 40' ' ' LEU . 2.7 tm? -89.85 -61.44 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.9 t -71.35 -60.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.6 tm-20 -51.67 -43.76 62.81 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.704 0.288 . . . . 0.0 111.053 -178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' HD3' ' HG3' ' A' ' 79' ' ' GLU . 6.5 tmtm? -64.56 -40.97 96.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -54.56 -49.58 69.99 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.041 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.3 mt -57.74 -44.97 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.67 -38.93 79.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.392 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG3' ' HD3' ' A' ' 75' ' ' LYS . 47.0 mt-10 -66.48 -44.38 82.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.342 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.27 -37.8 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.457 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 28' ' ' LEU . 96.3 mt -77.69 -42.07 35.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.573 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.37 -23.6 67.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.462 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 66.6 mt-30 -61.63 -18.57 59.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.457 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.41 -23.51 4.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.258 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.5 mt -129.92 91.76 38.86 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.72 -2.34 11.73 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.462 2.108 . . . . 0.0 112.091 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -112.35 15.35 20.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.752 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -81.75 147.05 29.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.985 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -123.36 101.78 7.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.597 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.75 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.69 -57.67 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.548 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.13 68.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -70.5 -52.23 23.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.262 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -60.13 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.594 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.3 p -56.72 -49.57 74.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.437 HG21 ' HB1' ' A' ' 16' ' ' ALA . 59.0 m -69.78 -29.56 66.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.5 HD21 HG11 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -63.34 -36.47 83.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.579 -179.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -49.52 -43.75 45.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.752 -178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -93.04 -29.27 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.001 0.429 . . . . 0.0 110.414 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -65.41 -6.82 11.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.793 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 60.1 mtpt -54.21 -19.58 5.42 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -64.04 -5.44 4.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -121.03 -65.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.958 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 97' ' ' LEU . 8.6 p -58.11 153.79 2.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.106 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.28 110.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.64 67.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.79 -40.57 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.703 0.287 . . . . 0.0 111.167 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 64.7 mt -71.03 -49.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.382 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.09 -28.96 69.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.082 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -48.41 -28.37 3.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.923 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 54.1 ttp -72.44 -52.05 17.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.183 0.516 . . . . 0.0 110.074 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.5 -22.89 66.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.593 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 115' ' ' PHE . 36.6 tp -50.66 -27.21 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.832 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -62.91 6.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.956 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.472 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.3 m-85 -64.47 -34.78 78.99 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.822 0.344 . . . . 0.0 110.749 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -138.87 -24.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.298 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.48 89.81 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.13 -40.07 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.147 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.5 mt -54.66 -37.74 66.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.0 57.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.277 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -64.53 -54.64 29.13 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.25 -50.11 73.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.708 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -57.95 -28.65 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.15 -47.64 73.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -69.51 -41.29 76.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.406 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -59.82 -33.39 71.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.32 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -71.35 -54.5 10.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.83 -33.58 61.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.484 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -71.02 -34.69 71.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.426 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.42 94.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -28.17 69.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.26 -24.45 64.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -78.09 -6.18 53.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -72.03 -31.27 64.45 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.811 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -120.18 -15.34 8.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.736 0.303 . . . . 0.0 110.938 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.503 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.792 0.33 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -111.55 -70.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.11 -2.63 27.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.79 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.977 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.81 99.8 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.791 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.67 -73.69 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -69.12 112.94 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -162.2 -29.33 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -101.24 136.27 41.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.65 116.28 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.7 16.6 25.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -56.86 154.55 9.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.67 149.0 40.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.809 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -98.46 172.74 7.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 18' ' ' ASP . 79.2 p -69.92 -18.47 63.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.77 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.33 -58.95 6.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.1 p -81.32 5.48 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.793 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 21.7 t70 -98.02 167.93 10.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.765 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -23.3 65.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.452 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.42 -49.21 75.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -59.52 -47.66 84.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -57.04 -33.99 67.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.19 84.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.7 t -59.34 -47.03 91.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.43 -43.84 73.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.82 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.78 93.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.066 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -57.95 -35.91 71.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.32 . . . . 0.0 110.621 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.9 -48.19 82.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.715 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -55.1 -42.17 72.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -61.94 -34.99 77.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.948 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.02 -40.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.7 mt -63.99 -30.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.938 0.399 . . . . 0.0 110.606 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 96.4 mmm -94.55 0.2 55.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.053 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.25 131.94 46.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.777 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.17 -50.98 71.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.436 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.82 -26.06 65.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.101 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -77.63 -37.04 50.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -69.34 -48.15 62.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.52 -41.59 98.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.02 -45.38 74.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.453 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.68 -49.82 76.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.381 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -66.99 -32.72 74.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.332 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -61.72 -47.45 85.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.691 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -78.45 -40.34 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.688 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.3 mtp -59.55 -25.7 64.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.94 -30.76 71.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.808 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -92.91 -44.56 8.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -55.47 -50.73 69.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.902 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.24 -18.7 39.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.567 0.222 . . . . 0.0 111.438 -178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.2 mt -81.39 -44.19 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.872 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -67.66 -35.86 79.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -69.8 91.64 0.65 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.0 tp10 -92.78 140.82 29.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.647 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.55 96.54 6.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' GLU . 53.9 p -142.27 -168.35 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -22.1 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -83.21 129.64 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.806 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -87.19 119.61 27.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.009 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -92.93 155.98 17.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.44 -9.58 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -70.59 -17.23 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -70.75 -19.96 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 65.6 m -73.73 -52.89 4.53 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 111.639 0.236 . . . . 0.0 111.639 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 63' ' ' THR . 32.5 Cg_endo -64.78 -40.53 21.69 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.086 1.857 . . . . 0.0 111.926 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.12 -46.54 94.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.35 -37.36 85.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.75 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -62.82 -35.6 80.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.9 -34.01 71.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -68.83 -40.59 79.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.565 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.8 mm -73.41 -29.38 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.227 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 47.2 t -82.95 -31.85 27.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.258 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.15 -62.49 1.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.69 -60.68 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.1 tm-20 -51.88 -46.19 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.26 . . . . 0.0 111.263 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' SER . 47.7 mmtm -66.93 -32.76 74.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.032 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.95 -55.84 29.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -59.62 -44.6 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.7 tt0 -57.02 -50.47 72.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.486 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 18.9 mm-40 -58.15 -44.7 88.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.568 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.47 -40.56 83.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.39 -37.02 45.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.123 0.487 . . . . 0.0 111.368 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.6 -23.08 64.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.573 -178.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 76.9 mt-30 -55.06 -19.58 7.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -122.75 -31.75 3.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.3 mt -110.81 93.35 16.79 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.78 -6.85 17.97 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.485 2.123 . . . . 0.0 112.747 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -111.76 15.47 20.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.82 148.52 49.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.551 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -128.47 93.68 3.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.266 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.93 73.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.18 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.327 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.19 -27.03 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.421 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.19 -54.05 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.093 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 p -58.95 -41.92 88.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.253 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.3 m -58.62 -44.65 90.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.44 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 31.5 m -73.96 -29.56 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.51 -36.4 82.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.232 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -50.65 -37.52 41.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.079 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -100.32 -28.71 12.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -71.6 -9.02 57.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 0.3 OUTLIER -64.61 -11.94 40.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.574 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.56 -24.86 34.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.88 -31.96 5.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.74 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 82.1 t -73.94 146.98 9.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.08 107.38 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.7 78.57 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.537 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.62 -41.15 98.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.74 -49.84 48.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.395 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.19 -28.87 69.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -48.57 -28.05 3.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.071 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.6 ttp -71.97 -52.16 18.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.27 0.557 . . . . 0.0 109.837 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.03 -22.67 66.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.668 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 42.2 tp -50.57 -27.44 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.253 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.1 p -59.25 -0.79 0.15 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.1 m-85 -64.59 -21.69 66.77 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.647 0.261 . . . . 0.0 110.87 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.7 t -144.82 -28.74 0.47 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.519 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.48 82.95 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.759 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -58.74 -27.24 64.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.208 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.9 mm? -65.69 -39.97 91.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.91 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 0.0 111.027 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -63.71 -54.41 35.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.729 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 126' ' ' LEU . 60.2 tttp -61.21 -49.08 78.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.826 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.74 -29.33 70.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.1 ttp -61.92 -47.02 86.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.48 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -68.24 -46.03 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 84.8 mt -57.15 -36.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.981 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.0 -39.98 72.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -59.73 -46.18 89.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.945 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.83 -52.96 62.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.1 -26.71 50.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.605 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.1 -36.25 82.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.311 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.97 -33.82 72.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.71 0.29 . . . . 0.0 111.193 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.63 -4.9 37.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.089 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 63.95 59.11 9.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.583 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 9.6 mpt_? 60.87 102.92 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.878 0.371 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.629 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.42 -28.39 12.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -149.11 136.08 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 pt? -59.37 137.84 57.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 58.79 -175.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.252 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.01 -157.94 10.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.386 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -138.16 179.28 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.2 p -75.38 125.63 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -75.75 168.35 20.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.1 -179.0 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 11' ' ' LEU . 2.6 pt? -59.7 143.74 49.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -76.61 115.91 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 61.79 -83.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 17' ' ' SER . 49.4 m -154.69 -174.35 4.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -122.19 -53.31 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.26 -4.99 24.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 48.2 t -57.58 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -172.23 -24.85 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.245 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -57.47 6.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.7 -40.47 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.035 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -54.94 -55.19 33.38 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.748 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.62 -37.11 80.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.43 -45.25 72.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.11 -42.04 93.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.568 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 28' ' ' LEU . 57.8 t -55.13 -39.59 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.547 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.86 77.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.826 179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 31' ' ' ILE . 48.8 m-85 -57.04 -34.17 67.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.472 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 25' ' ' VAL . 95.1 mt -62.39 -47.0 86.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.26 -38.69 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -63.98 -34.08 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 27' ' ' TYR . 77.1 mt -71.24 -39.91 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.35 -33.97 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.213 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 78.2 mtp -93.51 11.98 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.067 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.99 135.22 38.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.725 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.6 -53.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.204 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.58 -25.19 62.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -75.97 -33.33 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.47 -53.16 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.134 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.41 -42.31 99.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.76 -42.95 90.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.24 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -60.39 -53.61 55.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -63.16 -32.71 74.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.483 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -48.45 81.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.757 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -78.19 -43.05 29.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.59 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.3 mtp -56.97 -24.72 55.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.731 0.301 . . . . 0.0 111.054 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.42 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 12.9 mptt -92.69 -37.89 12.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.387 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 5.8 m-85 -60.91 -47.61 85.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.64 -16.14 62.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.596 0.236 . . . . 0.0 111.471 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.16 -45.74 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -68.07 -35.8 78.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.78 87.55 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -96.25 139.14 32.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.569 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.3 95.39 0.43 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 111.175 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -145.46 151.97 39.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.31 -28.37 61.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.94 134.13 46.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -93.32 140.88 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.947 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -120.14 149.38 42.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.01 -8.69 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -66.19 -12.83 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.247 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -71.22 -23.97 62.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.402 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.653 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 89.3 m -73.11 -52.46 5.48 Favored Pre-proline 0 CA--C 1.532 0.27 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.529 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.653 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.9 Cg_exo -61.15 -47.38 12.51 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.01 1.807 . . . . 0.0 111.933 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.52 -40.21 77.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -62.74 -44.11 97.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.698 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -56.87 -38.59 72.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.61 -43.88 92.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.41 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 55.8 t80 -60.0 -33.4 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 39.0 mm -73.57 -59.4 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.338 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 55.8 m -60.65 -26.7 67.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.777 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.3 tm? -90.35 -64.09 1.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.45 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.5 tt0 -53.1 -39.14 63.16 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.666 0.27 . . . . 0.0 111.499 -178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 71' ' ' SER . 38.6 ttmt -72.98 -33.89 66.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.738 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -60.78 -46.77 89.19 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.45 -42.06 94.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.8 tt0 -58.87 -50.8 72.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.664 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.1 mt-10 -55.85 -52.03 65.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.669 0.271 . . . . 0.0 111.481 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.89 -29.91 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.653 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -78.9 -37.0 41.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.23 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -69.92 -23.4 63.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.475 -178.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 29.7 mm-40 -56.4 -18.66 11.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.724 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 6.4 tpm_? -120.76 -19.28 7.42 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.7 mt -131.39 96.58 21.22 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.62 -13.61 20.1 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.378 2.052 . . . . 0.0 112.441 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -104.75 17.38 24.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.466 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.401 ' HB3' HD22 ' A' ' 82' ' ' LEU . 42.6 t80 -66.74 148.3 52.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.635 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -134.37 93.79 3.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.372 179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -27.27 63.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.251 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.471 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.54 -25.22 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.465 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.62 -52.53 25.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.245 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.4 p -61.73 -44.6 96.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.3 m -57.08 -44.85 83.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.119 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 49.3 m -74.8 -29.46 61.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.059 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.02 -36.83 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -51.0 -38.01 48.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.483 -179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -87.9 -37.17 16.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -71.15 -3.4 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.834 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -65.38 -16.31 63.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.472 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -57.82 -30.39 65.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.92 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -105.9 -41.46 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.766 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.44 142.67 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.972 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.47 109.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.49 -30.87 79.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.792 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.96 -38.99 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.647 0.261 . . . . 0.0 111.573 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.13 -49.38 33.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.399 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.45 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 18.7 t80 -64.42 -28.62 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -48.92 -32.37 8.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -72.56 -45.8 57.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.091 0.472 . . . . 0.0 110.115 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.5 mt -64.9 -22.68 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.109 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.4 mt -49.66 -27.17 4.36 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.852 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.5 ' HB ' ' HD1' ' A' ' 121' ' ' PHE . 41.1 p -54.35 -5.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.124 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.7 m-85 -64.18 -30.39 71.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.655 0.264 . . . . 0.0 110.665 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.5 p -141.2 -34.12 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.586 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -68.34 88.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 0.0 111.012 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.22 -27.83 67.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.959 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.83 -39.78 94.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.27 -27.03 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.5 ' HD1' ' HB ' ' A' ' 114' ' ' THR . 35.3 t80 -63.65 -55.01 26.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 62.5 tttp -69.08 -36.08 77.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.022 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.21 -31.14 70.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.43 -48.16 61.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -69.84 -37.26 76.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.277 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 122' ' ' LYS . 5.3 tp -59.9 -46.11 90.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.17 -33.24 75.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.69 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -70.63 -33.98 71.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.94 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -66.52 -20.43 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.52 -12.0 60.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -96.06 1.07 52.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.79 -74.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.58 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -93.05 1.29 57.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.774 0.321 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.527 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.0 tpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 58.42 22.15 9.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.65 16.56 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.495 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.24 -2.43 24.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 59.44 -170.85 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.06 -155.8 25.91 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.343 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -135.49 117.11 14.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.814 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.2 t -162.13 -22.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.767 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 58.92 19.1 6.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.0 179.84 4.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.6 pt? -162.27 -179.21 6.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.874 0.369 . . . . 0.0 111.099 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t 59.35 103.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -138.83 103.74 4.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.628 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 64.6 m -154.48 -63.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.4 m -91.43 -37.55 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.17 -33.57 5.37 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.354 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -55.08 138.13 44.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.422 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -56.18 -23.57 36.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.068 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.05 -57.4 5.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.642 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 10.6 tp10 -70.62 -50.79 33.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.363 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -47.48 -51.44 20.4 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.709 0.29 . . . . 0.0 110.95 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.36 -42.11 90.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.63 77.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 t -62.02 -40.97 89.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.662 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.62 -41.66 65.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.665 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -49.32 75.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.062 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' O ' HG13 ' A' ' 31' ' ' ILE . 29.1 m-85 -56.58 -36.87 69.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 110.418 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 81' ' ' LEU . 87.1 mt -61.24 -47.2 87.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.696 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.54 -38.28 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.689 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.84 -32.73 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 27' ' ' TYR . 68.2 mt -75.66 -38.62 38.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.072 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.69 -42.52 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 63.1 mtm -87.1 3.15 47.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.284 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -64.62 129.19 38.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.517 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 -40.99 68.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.89 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -71.67 -28.59 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.286 . . . . 0.0 111.478 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -75.55 -44.05 45.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -65.9 -36.08 82.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.149 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.31 -44.88 70.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.01 -49.3 70.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -55.02 -52.29 63.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.462 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -65.79 -32.74 74.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.46 -48.74 80.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.317 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -78.32 -40.64 36.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.456 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.6 mtp -56.07 -28.78 59.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.648 0.261 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.49 -31.19 69.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 47' ' ' LYS . 3.0 tmtp? -94.67 -39.34 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.693 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.52 -54.63 43.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.983 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -16.77 24.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.688 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.8 mt -81.16 -45.5 16.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.735 0.302 . . . . 0.0 110.866 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -71.45 -28.19 63.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HE1' HG21 ' A' ' 65' ' ' ILE . 12.4 m-85 -81.68 85.14 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.917 0.389 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -91.56 138.99 31.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.14 98.33 0.78 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.023 0.44 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.6 p -138.59 178.57 7.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -104.24 -34.24 8.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.047 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.64 127.5 32.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.737 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.47 140.21 39.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.961 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -107.65 154.68 21.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.73 -14.31 59.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.2 tp -71.07 -19.5 21.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.268 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -70.95 -15.57 62.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 58.7 m -77.34 -53.04 1.69 Allowed Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.441 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.4 Cg_endo -65.63 -38.49 24.57 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.039 1.826 . . . . 0.0 111.927 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG21 ' HE1' ' A' ' 52' ' ' PHE . 86.8 mt -64.42 -47.05 91.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -58.82 -37.48 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.681 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -66.2 -36.06 82.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.22 -36.95 85.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.463 ' CE1' HG21 ' A' ' 73' ' ' VAL . 61.4 t80 -70.17 -45.39 66.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.9 mm -70.69 -28.84 35.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.403 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.7 p -81.81 -38.57 25.34 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.657 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -89.42 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.6 t -63.33 -58.47 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -177.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.6 tm-20 -52.09 -48.28 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.122 -179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.17 -24.99 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.289 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.405 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 45.5 t80 -60.97 -51.94 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 110.375 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.91 -42.61 95.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.817 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.9 tt0 -57.32 -50.63 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.41 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.04 -49.09 78.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.363 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' TYR . 15.1 mm100 -58.73 -31.42 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.754 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD11 HD21 ' A' ' 28' ' ' LEU . 87.0 mt -79.25 -38.69 34.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -68.76 -23.06 64.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.751 -178.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -57.58 -18.79 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.954 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -120.84 -16.68 8.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.025 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.9 mt -131.62 97.83 18.75 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.067 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.13 -9.1 17.82 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.389 2.059 . . . . 0.0 112.613 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -110.6 16.79 21.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.454 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.55 148.28 52.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.493 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.466 HD22 ' HB3' ' A' ' 92' ' ' ALA . 2.0 p-10 -130.36 88.42 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.37 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 tpt -65.15 -21.67 66.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.227 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.75 -58.3 4.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.874 0.368 . . . . 0.0 111.31 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.466 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -70.79 -25.32 62.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 84.0 t80 -68.97 -51.12 42.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.6 p -60.72 -47.29 86.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.361 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.5 p -57.52 -49.7 75.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.4 m -68.06 -29.42 68.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.366 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -63.19 -46.11 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.961 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -51.68 -33.67 34.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -79.63 -43.96 21.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.213 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -68.76 -1.87 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -61.56 -20.28 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.372 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -72.56 -15.43 61.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -112.27 -61.45 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.9 m -57.46 166.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.222 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.18 107.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.21 -30.63 78.28 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.11 -38.52 88.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 111.366 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 86.6 mt -72.5 -49.81 39.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -65.38 -28.69 69.45 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.088 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -48.34 -31.04 5.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.831 0.348 . . . . 0.0 110.743 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.45 -49.67 31.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.959 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.48 -23.02 66.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.645 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.8 tp -50.69 -27.29 6.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.201 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.2 p -59.64 0.08 0.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.849 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.72 -28.3 69.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.596 0.236 . . . . 0.0 111.295 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -141.85 -30.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.518 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.52 92.2 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.746 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -59.97 -28.12 67.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.86 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.53 -27.56 58.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -66.76 -54.73 19.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.22 -43.77 81.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.663 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.54 -29.83 69.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.515 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.3 ttp -67.21 -47.73 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -63.53 -44.21 94.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.32 -32.14 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.862 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.82 -39.85 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.672 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.15 -39.31 85.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.397 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -71.27 -33.82 70.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.593 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.8 81.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.48 -29.55 70.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -68.07 -31.92 71.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -92.74 -0.45 57.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.694 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -64.93 -79.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.733 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -98.02 156.85 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.576 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.2 mtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -142.66 7.36 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.725 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.95 -10.57 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.204 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.31 115.61 28.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -156.18 -16.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.993 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.59 121.79 27.89 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.406 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -82.51 139.65 33.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.957 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.9 t -104.9 -39.6 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -79.75 178.48 8.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.16 154.51 39.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.975 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.46 111.23 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -134.14 -23.73 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -97.0 158.22 15.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.804 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.0 p -85.42 121.31 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.954 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.485 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 49.4 m -126.47 -44.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.86 -4.69 39.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.204 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -54.25 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -171.38 -28.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -57.53 5.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.443 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 0.5 OUTLIER -70.67 -45.86 64.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 79.1 t80 -50.55 -44.2 56.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.82 -45.58 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.65 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.98 79.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.773 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 20' ' ' GLU . 65.1 t -59.46 -41.61 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HA ' HD12 ' A' ' 28' ' ' LEU . 92.7 t -56.62 -41.84 74.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.449 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -58.74 -51.82 56.77 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.046 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -57.47 -38.76 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.845 0.355 . . . . 0.0 110.555 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 25' ' ' VAL . 91.7 mt -60.01 -41.8 92.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.08 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.62 -44.13 97.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -62.7 -32.91 74.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -75.36 -43.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.236 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.18 -33.01 60.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.2 mmm -95.24 16.5 16.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -83.92 142.46 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.512 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.84 -28.07 68.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.435 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -75.11 -42.35 56.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.075 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -64.63 -52.93 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.43 -46.41 86.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.72 -40.6 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.37 -53.49 56.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.396 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -66.22 -32.91 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.775 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -58.92 -49.04 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.516 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -78.77 -44.53 23.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.583 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.5 mtp -57.05 -24.62 55.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.686 0.279 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.12 -31.38 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -94.7 -46.62 6.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -53.73 -46.09 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.767 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -18.34 65.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.64 0.257 . . . . 0.0 111.177 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.42 -43.47 18.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.64 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.26 -38.61 81.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -78.28 86.36 4.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -101.02 148.74 24.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.773 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.44 96.27 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.822 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -140.3 -177.5 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -97.73 2.51 49.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -94.99 154.7 17.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.051 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -143.87 110.18 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.632 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -100.43 165.47 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.2 tp -80.03 -8.68 59.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.1 tp -61.16 -15.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.798 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -70.21 -24.1 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.509 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 71.8 m -72.6 -52.41 6.42 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -64.56 -44.13 11.85 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.076 1.85 . . . . 0.0 112.252 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.19 -45.12 93.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.039 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.36 -45.85 90.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.787 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.99 -37.16 68.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.766 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.99 -44.04 97.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.6 t80 -59.69 -31.86 69.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.525 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -72.96 -58.22 5.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.227 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.443 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 50.9 m -61.99 -24.48 67.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.765 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -91.01 -64.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 111.684 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 54.1 t -74.49 -61.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -53.07 -40.29 63.93 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.717 0.294 . . . . 0.0 111.39 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.0 tttm -70.12 -34.16 72.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.527 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -57.29 -45.96 83.62 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.868 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.77 -47.47 85.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.98 -43.82 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.442 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -62.13 -48.49 79.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -58.38 -30.33 66.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -76.7 -34.7 58.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.17 -28.07 66.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -60.84 -18.46 55.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -116.96 -26.38 6.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.753 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.7 mt -132.75 90.22 33.03 Favored Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.17 -5.43 12.4 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.614 2.209 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.82 17.02 18.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.466 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 57.8 t80 -79.3 147.12 32.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -131.68 99.41 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.271 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.3 tpt -59.43 -33.65 71.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.8 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.46 -56.91 14.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.583 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.88 -25.6 64.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.491 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -69.02 -49.14 60.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.222 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.7 p -63.29 -45.82 89.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 50.9 m -57.58 -41.62 81.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.5 m -76.66 -29.45 56.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.1 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -61.55 -39.73 92.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.41 -32.79 27.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.056 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -80.51 -43.77 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.1 0.476 . . . . 0.0 110.283 179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.67 -5.29 11.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.362 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 10.2 mtpm? -58.62 -19.08 35.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -62.88 -15.54 55.35 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.173 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -129.74 -41.49 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.145 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.2 t -57.24 146.56 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.92 108.01 0.53 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.69 -30.49 77.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.437 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -63.28 -47.58 81.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.491 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.41 -49.9 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.428 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -63.55 -29.11 70.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.972 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -49.5 -36.86 24.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -72.31 -42.49 65.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.167 0.508 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.87 -23.22 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 53.5 mt -50.22 -26.88 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.17 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.9 p -56.13 -2.3 0.06 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.119 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.6 m-85 -64.25 -27.34 68.98 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.585 0.231 . . . . 0.0 110.943 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -150.51 -34.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -64.65 89.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -57.69 -31.54 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.256 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.12 -41.17 96.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.152 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.24 -28.07 57.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -64.15 -54.58 31.56 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.666 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.88 -43.36 83.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.8 -28.42 68.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.794 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.4 ttp -70.72 -47.55 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.09 -48.21 71.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.498 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.08 -39.51 75.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.69 -39.13 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.014 0.435 . . . . 0.0 110.371 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.3 -33.68 76.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -67.07 -43.18 83.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.33 -30.6 71.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.231 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.03 -24.91 67.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.43 -48.82 77.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -79.77 2.07 24.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.97 -54.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -166.96 -64.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.386 . . . . 0.0 110.836 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.429 -179.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -74.62 -31.84 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.733 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.63 138.12 39.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 59.1 tp 58.71 97.6 0.02 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.63 138.95 53.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.81 -170.9 27.57 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.366 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.72 166.96 22.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.764 0.316 . . . . 0.0 110.822 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.7 m -84.7 132.79 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.764 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -80.47 155.23 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.27 141.66 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.999 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt 60.04 -179.82 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -132.93 154.4 50.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -113.6 -0.02 14.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -94.06 111.36 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.1 t -140.06 -41.81 0.43 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.95 -44.61 76.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -96.95 14.05 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.456 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -109.06 172.11 7.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HA ' ' OD2' ' A' ' 22' ' ' ASP . . . -58.64 -23.74 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.266 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -57.38 -46.09 83.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.764 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -56.21 -55.77 29.08 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 1.5 p30 -66.21 -28.53 68.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.324 -179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.12 -50.09 65.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.081 0.467 . . . . 0.0 110.444 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -66.38 -53.6 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.6 p -50.46 -33.46 10.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.07 -42.24 85.12 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.574 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -59.47 -45.21 92.28 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.592 0.234 . . . . 0.0 110.665 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -57.06 -45.98 82.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.807 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.38 -41.49 69.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.99 -33.4 73.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -76.81 -38.62 29.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.64 -30.63 49.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.6 mmt -99.36 13.3 33.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 18.6 t70 -81.89 139.45 34.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.02 -47.58 77.54 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.443 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.04 -27.36 66.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.041 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -77.96 -37.31 47.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.077 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 27.9 mm-40 -64.05 -42.74 96.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.48 -46.52 66.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.73 -49.72 75.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.342 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.56 -47.97 83.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.649 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 78.3 ttt180 -69.07 -32.48 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.709 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.33 -48.35 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.631 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -78.05 -42.31 32.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.716 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 13.2 ptm -59.73 -26.66 65.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.759 0.314 . . . . 0.0 110.823 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.14 -31.3 71.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -91.23 -39.68 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -58.11 -55.31 36.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.741 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -57.28 -19.2 20.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.551 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.0 mt -77.03 -49.91 14.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 111.167 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.95 -33.93 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.97 87.62 4.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.005 0.431 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -104.03 154.29 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.928 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.14 99.38 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 59.9 p -141.79 164.25 30.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.36 1.03 57.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -118.78 134.54 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -104.98 151.72 23.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.787 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -118.28 170.2 9.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.9 mm? -80.25 -11.72 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -69.45 -16.98 21.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -71.27 -21.45 62.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.459 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.669 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 71.7 m -74.87 -52.61 3.33 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.553 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.669 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.0 Cg_exo -61.89 -43.69 24.27 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.019 1.812 . . . . 0.0 111.918 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.56 -45.2 94.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -60.63 -40.82 93.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.803 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.29 -27.14 68.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.774 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.14 -37.54 69.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.659 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.1 t80 -70.24 -38.99 75.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.626 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.552 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 46.3 mm -73.75 -29.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.343 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -84.13 -35.79 23.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.918 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -89.24 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -65.55 -59.37 4.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.552 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 29.1 tt0 -51.89 -45.84 64.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.683 0.278 . . . . 0.0 111.209 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.14 -25.39 61.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.0 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.46 -46.79 87.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 0.0 110.39 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.443 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 61.7 mt -70.67 -46.81 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.42 -50.82 70.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.761 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -59.59 -49.01 79.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.676 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -58.37 -32.68 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.088 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.54 -34.52 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.023 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.01 -24.93 66.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -55.49 -23.26 24.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.93 -27.5 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.046 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.42 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -127.62 87.65 55.48 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.38 -6.35 18.2 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.44 2.093 . . . . 0.0 112.741 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.44 17.16 18.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.636 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -73.73 147.93 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.755 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.509 ' ND2' ' HB3' ' A' ' 92' ' ' ALA . 0.7 OUTLIER -116.62 92.96 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.313 179.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.99 -31.7 73.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.493 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.54 -43.78 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.698 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.509 ' HB3' ' ND2' ' A' ' 89' ' ' ASN . . . -72.6 -33.75 66.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.804 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.38 -43.54 77.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 111.006 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 p -63.57 -47.31 82.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.512 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.6 m -57.68 -40.14 78.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.0 m -76.24 -29.3 57.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.87 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -38.29 90.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.953 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -54.6 -39.27 67.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.926 0.393 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -77.54 -42.47 35.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.397 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -70.02 -3.29 15.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.28 -21.5 63.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.28 -23.28 62.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.05 -62.72 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.7 p -57.44 162.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.81 106.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.955 0.407 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.1 -30.39 77.8 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.19 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.01 -38.49 88.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.675 0.274 . . . . 0.0 111.18 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.4 mt -71.91 -49.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.061 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 12.9 t80 -63.91 -29.12 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' HA ' HD12 ' A' ' 113' ' ' LEU . 14.3 t70 -49.51 -33.32 14.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.96 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -72.72 -45.44 58.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.113 0.483 . . . . 0.0 110.002 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 84.3 mt -65.03 -23.23 67.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.452 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.2 mt -50.5 -27.5 6.71 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.4 p -58.05 -0.3 0.08 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.452 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.4 m-85 -64.4 -34.14 77.5 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.69 0.281 . . . . 0.0 110.839 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.2 p -145.22 -33.44 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.656 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.15 88.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.998 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -59.39 -30.03 68.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.89 -40.32 92.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.21 -29.36 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -64.55 -54.52 30.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.969 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -64.49 -45.59 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.186 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.82 -31.18 72.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.431 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 62.8 ttp -65.23 -46.77 79.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -61.29 -49.12 78.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.276 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.41 -30.64 70.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.8 -47.39 75.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.399 . . . . 0.0 110.523 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.93 -33.55 73.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.676 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 47.6 ttp180 -66.76 -44.23 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.74 79.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.85 -34.07 74.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.01 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -61.78 -25.38 67.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.257 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -81.44 -29.49 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.33 -30.67 8.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.551 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -98.69 114.45 26.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.32 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -162.78 13.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.78 150.4 47.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.85 158.76 18.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.791 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 62.21 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.125 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.86 96.75 1.81 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.537 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -126.87 -172.04 2.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.306 . . . . 0.0 110.816 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.38 122.45 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -63.22 124.21 20.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.08 154.9 26.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 tp -155.23 123.12 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -137.07 146.0 44.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.61 161.66 23.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.6 p -117.28 172.21 7.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.648 ' H ' ' HB2' ' A' ' 18' ' ' ASP . 9.6 t -168.91 -162.04 0.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.568 -179.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -62.26 -20.32 64.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.42 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.5 t -104.49 20.25 18.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.648 ' HB2' ' H ' ' A' ' 15' ' ' SER . 5.2 m-20 -137.14 -164.64 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.034 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.74 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.645 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.32 -50.17 72.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.023 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 30.1 t80 -56.7 -38.83 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.332 179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.73 -37.69 88.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -45.87 92.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -60.51 -41.09 86.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 21' ' ' PHE . 87.8 t -58.6 -42.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.87 -40.67 98.63 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.069 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.96 -35.1 79.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 0.0 110.611 179.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.6 mt -65.74 -45.86 81.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.1 mt-10 -56.09 -44.05 78.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.722 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.21 -33.83 71.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.707 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.58 -33.49 39.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 29' ' ' GLU . 96.3 mt -62.07 -41.26 90.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtt -94.44 12.24 27.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.23 135.94 44.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.42 -46.73 83.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.573 -179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -62.97 -27.23 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.192 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.88 -41.62 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.348 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.96 -44.81 88.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.331 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.94 -43.47 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.17 -38.8 86.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.531 -179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.46 -51.03 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.4 -179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -68.64 -32.53 72.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.537 -179.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -61.39 -47.98 83.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.581 -179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -78.76 -46.7 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.619 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.2 mtp -58.06 -24.77 59.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.656 0.265 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.95 -31.03 71.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -94.62 -37.82 11.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.393 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -57.21 -52.23 66.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.885 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.73 -14.92 56.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.538 0.208 . . . . 0.0 111.552 -178.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.26 -42.52 20.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.99 -34.8 50.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -75.01 88.23 2.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.52 150.23 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.324 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -73.68 95.62 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.791 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -139.19 162.29 35.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.051 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.82 1.81 53.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -90.61 153.32 20.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -101.5 108.29 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.536 ' HB3' HG22 ' A' ' 61' ' ' ILE . 95.9 mttt -92.57 133.38 36.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.7 mt -75.19 -8.92 57.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.6 tp -71.97 -18.41 19.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -72.41 -18.18 61.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 77.6 m -72.09 -52.64 7.24 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.439 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.6 Cg_endo -66.42 -41.17 12.54 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.942 1.761 . . . . 0.0 111.928 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.15 -39.81 81.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.713 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.64 -46.92 85.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 179.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -64.04 -24.39 67.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.86 -38.59 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.447 ' CE1' HG21 ' A' ' 73' ' ' VAL . 50.8 t80 -69.95 -36.93 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.173 0.511 . . . . 0.0 110.754 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.569 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.5 mm -74.08 -28.67 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.548 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -90.5 -29.01 18.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.599 -179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.0 -61.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG21 ' CE1' ' A' ' 69' ' ' TYR . 60.0 t -71.63 -58.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -177.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.6 tt0 -52.11 -45.39 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 111.187 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 4.3 mmmp? -68.05 -30.85 70.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.798 179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -57.41 -47.06 82.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.704 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.4 mt -66.97 -46.07 85.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 90' ' ' MET . 33.8 tt0 -56.64 -50.61 71.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.542 -179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 40.6 mt-10 -59.69 -42.11 92.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.572 -179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -58.22 -38.36 76.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.224 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.52 -34.3 54.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.112 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.29 -23.55 66.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 27.5 mt-30 -55.43 -26.58 42.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.356 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.603 ' HG3' HG13 ' A' ' 85' ' ' ILE . 12.6 ptp180 -124.5 -10.58 7.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.512 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.603 HG13 ' HG3' ' A' ' 84' ' ' ARG . 21.9 mt -134.72 87.5 30.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.73 -1.86 11.02 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.468 2.112 . . . . 0.0 112.65 -179.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -111.53 15.13 21.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -87.08 146.84 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -129.89 105.07 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.546 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' HG3' ' A' ' 78' ' ' GLU . 12.5 tpt -62.23 -28.84 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.222 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 -58.25 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.543 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.31 -25.55 66.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.381 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -70.96 -48.29 54.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.2 p -63.26 -39.3 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.504 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.4 p -63.1 -41.24 99.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.289 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.8 m -77.02 -28.84 55.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.426 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.457 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.1 tt -65.64 -43.22 90.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.949 -178.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 95' ' ' THR . 25.6 pt20 -51.5 -32.59 28.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.715 0.293 . . . . 0.0 111.018 -179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -86.37 -40.21 15.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.085 0.469 . . . . 0.0 110.26 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -67.71 -5.31 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 104' ' ' VAL . 27.9 ttpp -58.99 -16.92 20.47 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.744 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -54.53 -26.94 34.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -117.73 -30.72 5.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HB ' ' HA ' ' A' ' 101' ' ' LYS . 50.9 t -64.09 145.86 13.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.8 107.3 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.94 -30.53 70.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.762 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.81 -49.41 76.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.56 0.219 . . . . 0.0 111.5 -179.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' O ' ' HG2' ' A' ' 111' ' ' MET . 52.6 mt -70.01 -50.01 51.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.784 0.326 . . . . 0.0 111.401 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -59.78 -27.24 66.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.75 -39.56 18.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.546 -179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 11.5 ptt? -72.5 -38.59 68.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.206 0.527 . . . . 0.0 110.039 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 111' ' ' MET . 87.5 mt -65.5 -23.07 66.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 115' ' ' PHE . 61.8 mt -50.12 -27.01 5.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.107 -179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 76.0 p -55.04 -4.59 0.07 Allowed 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.433 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.5 m-85 -64.77 -35.28 80.57 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.594 0.235 . . . . 0.0 111.055 179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.4 p -145.45 -6.81 0.62 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.581 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -92.04 84.96 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -58.34 -34.1 70.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.996 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.01 -40.4 80.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.84 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.785 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.02 -54.64 27.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.73 -42.99 90.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.204 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.05 -30.05 71.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.354 -179.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.3 ttp -69.22 -47.74 63.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.46 -179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -70.4 -40.13 74.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.612 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.95 -39.84 86.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.702 0.287 . . . . 0.0 110.838 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.87 -41.52 87.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.687 179.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.489 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -71.3 -36.22 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.944 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.58 86.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.542 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.56 -25.22 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.082 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -70.9 -14.43 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -106.88 -6.3 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -97.89 -39.95 3.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -155.89 117.51 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.539 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -131.34 -64.51 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 68.0 -4.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.924 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.41 136.16 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -161.45 131.47 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.59 78.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -105.67 -13.22 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.687 0.279 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.9 m -76.84 161.45 28.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -160.62 143.38 13.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.78 -36.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.926 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 13' ' ' PHE . 6.9 tt 60.56 97.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.984 179.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -105.51 24.34 12.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.504 ' H ' HD23 ' A' ' 11' ' ' LEU . 13.3 t80 63.06 10.58 4.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.868 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.8 t -99.07 146.28 26.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.679 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.509 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 76.1 p -92.05 -39.34 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.96 -4.54 25.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.412 -179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.7 t -50.81 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -175.27 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 111.196 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -52.43 38.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.571 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 11.4 tp10 -63.0 -49.55 74.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -55.24 -52.48 63.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.332 . . . . 0.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.47 -33.93 66.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.246 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.8 82.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.08 -44.43 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' HA ' HD12 ' A' ' 28' ' ' LEU . 52.9 t -56.63 -38.82 59.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.45 87.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.142 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -61.02 -35.63 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.859 0.361 . . . . 0.0 110.531 179.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 25' ' ' VAL . 98.1 mt -60.04 -48.16 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.65 -37.25 78.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.54 -37.4 87.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.1 -38.18 54.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -65.77 -33.42 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 67.0 mtt -90.51 0.36 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.85 141.76 57.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.697 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.66 -37.59 73.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.285 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -65.43 -32.67 74.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 -179.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -60.43 -45.24 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.055 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.98 -48.93 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.34 -25.04 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.065 -179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -71.76 -49.61 37.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.994 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -66.17 -34.75 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -71.17 -39.62 71.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -179.691 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -48.52 47.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.098 -179.574 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.85 -26.0 68.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.73 -31.23 68.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.686 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -94.57 -48.39 6.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.738 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -58.98 -45.86 89.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.009 -179.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -19.07 48.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.62 0.248 . . . . 0.0 111.16 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -80.81 -50.86 9.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 179.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.01 -34.23 77.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -78.54 86.75 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.958 0.409 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG3' HG23 ' A' ' 55' ' ' THR . 10.7 pt-20 -101.81 157.04 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.776 179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.34 101.23 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 53' ' ' GLU . 62.1 p -140.08 172.04 13.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -114.7 -12.54 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -103.69 145.24 30.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -88.23 150.51 23.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.676 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -124.86 163.76 21.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.08 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -79.93 -17.37 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.405 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.75 -16.39 20.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 111.137 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -73.85 -19.62 60.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.489 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 64.3 m -70.17 -52.51 12.23 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.39 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 63' ' ' THR . 48.5 Cg_endo -68.62 -38.26 11.08 Favored 'Trans proline' 0 C--N 1.353 0.804 0 C-N-CA 122.136 1.891 . . . . 0.0 111.796 179.157 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.59 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -64.72 -47.41 78.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.24 -31.77 70.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.753 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -69.11 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.652 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -66.06 -41.47 90.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.528 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.5 mm -73.28 -29.01 26.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.551 -179.473 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.0 p -83.23 -33.28 26.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.82 -62.45 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.08 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.91 -60.03 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.528 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.5 tm-20 -51.76 -44.91 63.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.587 0.232 . . . . 0.0 111.232 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.16 -31.45 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.608 0.242 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -58.77 -50.67 73.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -63.59 -49.61 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.638 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.14 -50.68 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 112.032 -178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 44.1 mt-10 -58.82 -50.03 75.49 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.162 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -57.77 -36.23 71.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.76 -178.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 94.2 mt -72.75 -38.13 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.321 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.3 mm-40 -60.65 -21.16 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.337 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -118.73 -23.15 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.5 mt -130.99 89.15 43.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.62 -1.04 8.54 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.434 2.089 . . . . 0.0 112.512 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -113.69 14.15 18.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.69 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -81.14 146.82 30.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.179 -179.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -125.44 100.18 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.519 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.5 tpt -64.11 -26.66 68.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.046 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.0 -57.91 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.56 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.32 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.475 -179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -67.96 -51.01 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -62.14 -45.08 95.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 59.2 m -56.5 -40.69 75.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.159 -179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.0 m -77.81 -28.98 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 179.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.5 tt -61.76 -39.38 91.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.933 -178.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 95' ' ' THR . 2.6 pt20 -51.68 -35.44 42.64 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -83.66 -42.24 16.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.165 0.507 . . . . 0.0 110.28 179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -70.88 0.44 7.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.744 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -62.89 -24.14 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.041 179.087 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.76 -20.26 64.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -101.82 -61.51 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 101' ' ' LYS . 8.4 p -59.46 158.63 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.89 108.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.68 -31.13 79.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -65.38 -40.35 93.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.693 0.282 . . . . 0.0 111.206 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.99 -49.32 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -65.15 -29.41 70.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -48.68 -29.41 4.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.796 0.331 . . . . 0.0 110.861 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.6 ttp -72.59 -50.54 24.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.8 mt -66.65 -23.12 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.626 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.6 tp -50.85 -27.01 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.918 -179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 78.4 p -59.38 1.15 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.863 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.6 m-85 -64.31 -20.25 65.96 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.715 0.293 . . . . 0.0 110.769 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -144.79 -27.02 0.49 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.44 88.06 5.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.149 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.52 -29.2 68.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.948 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -66.7 -36.93 83.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.748 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -27.04 57.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.615 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -69.25 -54.63 13.71 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.438 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -62.85 -48.14 80.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.498 179.693 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -56.55 -34.5 67.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.683 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.9 ttp -61.4 -47.74 84.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -68.7 -38.05 80.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.461 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.59 -35.51 79.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.1 -38.98 72.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -63.45 -42.71 98.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.754 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -66.8 -41.36 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.95 -26.8 69.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -71.75 -21.71 61.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.044 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.82 -19.06 64.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.1 -27.62 67.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.1 17.0 28.66 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -90.08 -9.74 47.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.464 179.911 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -109.39 -47.52 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.01 97.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.337 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -89.08 138.4 31.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.29 -20.9 13.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.06 67.59 0.2 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.77 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.36 -35.2 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.791 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.0 t -104.23 8.77 36.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.181 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -105.61 137.84 42.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.065 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 56.87 90.04 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.4 mt -136.09 -174.48 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 m -107.37 126.29 52.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.704 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -127.6 -6.03 5.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.095 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.5 t -161.58 114.64 1.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.134 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 t -165.74 -81.65 0.02 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -81.54 -41.95 20.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.411 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -85.48 27.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.108 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -139.64 170.12 16.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.053 0.454 . . . . 0.0 111.099 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.59 -22.22 43.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.513 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.42 -50.01 70.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.338 -179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 14.6 t80 -59.66 -42.94 93.98 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 110.415 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.21 -35.54 77.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.47 97.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.636 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.68 -42.81 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.1 t -59.73 -37.85 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.484 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.02 99.15 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.155 179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -64.36 -35.8 82.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.816 0.341 . . . . 0.0 110.644 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.32 -48.45 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.45 -34.57 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.659 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.56 -33.0 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.3 mt -78.48 -39.57 23.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.95 -35.46 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 66.4 mtt -93.66 2.28 56.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.195 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.9 131.58 44.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.669 179.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -53.03 -53.57 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.691 -179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -56.27 -31.93 64.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -73.46 -34.23 65.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -61.19 -49.44 77.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.674 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.32 -37.18 86.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.731 179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 72' ' ' LEU . 32.6 tp -61.31 -51.8 67.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -62.53 -54.12 44.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.22 -178.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -60.73 -43.73 97.53 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -57.0 -49.08 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -73.56 -35.35 65.47 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.5 mtp -62.36 -24.71 67.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.479 179.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -58.78 -30.13 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.893 179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -93.52 -50.64 5.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -54.29 -50.08 68.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.427 -179.001 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -32.2 46.69 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.708 0.289 . . . . 0.0 111.377 -178.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -81.56 -31.37 32.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.039 -179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.05 -44.03 70.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -76.23 88.4 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.017 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -89.89 142.06 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -70.9 96.38 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.793 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -133.22 173.77 11.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -99.24 -25.05 14.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.1 144.84 26.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.993 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -98.05 155.88 16.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.732 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.17 162.02 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.4 tp -80.02 -18.05 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 9.7 tp -65.32 -16.73 20.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -71.6 -19.15 62.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.489 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.683 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 83.0 m -75.6 -52.89 2.71 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 32.2 Cg_exo -60.4 -42.53 40.61 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.842 1.694 . . . . 0.0 111.536 178.535 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.8 mt -60.84 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.77 179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.25 -37.65 83.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.643 179.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -66.17 -32.8 74.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.652 179.66 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -67.95 -36.49 80.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.643 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -68.95 -40.86 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.5 mm -73.89 -30.79 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.566 -179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 53.3 m -82.62 -29.31 30.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.253 -179.713 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 40' ' ' LEU . 2.8 tm? -90.96 -63.69 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.07 -62.13 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.4 tm-20 -53.64 -44.93 69.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.329 -178.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 71' ' ' SER . 54.4 tttp -64.68 -39.03 92.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.074 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 72.9 t80 -56.75 -43.41 80.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.6 mt -65.01 -47.61 87.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.398 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.33 -44.92 84.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.511 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.02 -46.4 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.403 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.676 ' HA ' HE21 ' A' ' 83' ' ' GLN . 32.2 mm-40 -59.38 -31.79 69.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 98.0 mt -77.86 -36.39 49.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.373 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.21 -27.9 68.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.443 -179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.676 HE21 ' HA ' ' A' ' 80' ' ' GLN . 43.2 mt-30 -58.37 -26.61 63.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.514 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -117.69 -17.34 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.236 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.4 mt -133.83 88.84 31.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.09 -3.45 13.68 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.465 2.11 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -112.19 15.91 20.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.581 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -76.3 147.99 37.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.194 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -136.06 102.06 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.501 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -21.9 64.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.304 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.8 -57.3 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.493 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.3 -28.06 65.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -68.36 -51.9 39.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.336 -179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 p -61.25 -50.79 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -55.41 -40.82 71.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.664 0.268 . . . . 0.0 111.506 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.2 m -76.55 -29.1 56.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.793 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.4 tt -63.75 -36.94 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -50.42 -39.46 47.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.409 -179.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -91.28 -33.24 15.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -66.81 -6.89 17.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.157 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 53.1 mtmt -58.66 -16.53 16.67 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.808 0.337 . . . . 0.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -71.09 -2.55 16.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.342 -179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -124.39 -61.84 1.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.582 -179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 m -60.82 171.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.39 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.94 107.43 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.988 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.93 78.99 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.131 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.7 -35.64 81.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.652 0.263 . . . . 0.0 111.387 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 35.0 mm -74.04 -50.17 29.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.45 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.39 -28.64 69.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -47.98 -29.96 3.89 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -72.66 -51.44 19.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 109.755 178.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.64 -22.65 66.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.668 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.416 ' C ' ' H ' ' A' ' 115' ' ' PHE . 31.6 tp -50.87 -27.6 7.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.03 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.5 p -58.98 -2.82 0.27 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.842 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.6 m-85 -65.0 -29.19 70.09 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.763 0.316 . . . . 0.0 110.74 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 79.5 p -127.5 -43.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.529 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -69.51 90.34 0.54 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.193 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.61 -27.76 66.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.994 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.39 63.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -67.09 -54.29 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.434 ' O ' HD13 ' A' ' 126' ' ' LEU . 60.2 tttm -62.23 -46.29 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.368 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.27 -32.0 70.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -62.54 -47.55 83.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -65.08 -41.04 95.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.3 mp -63.5 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.33 -48.01 53.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.632 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -64.0 -37.27 86.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -69.94 -43.48 71.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.93 -33.63 72.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.223 -179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -63.81 -25.88 68.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -67.73 -28.5 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.763 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.9 -0.97 57.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.751 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.02 -52.23 5.84 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.655 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -92.15 140.91 29.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.467 179.914 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -79.38 -172.16 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.84 -27.47 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -95.35 124.6 39.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -128.62 -5.08 5.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.07 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.38 159.85 24.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.648 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -137.36 -64.38 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 110.741 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -157.73 162.25 38.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -136.42 109.23 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.793 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.35 105.32 3.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.6 mt -108.32 -171.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.0 m 61.05 101.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -59.08 102.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.7 m -155.66 154.44 31.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.751 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.1 m -117.9 -56.86 2.15 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.625 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -54.35 -20.01 6.53 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -119.02 -172.26 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.283 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 57.78 -165.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.2 -23.02 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.25 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 121.185 -0.206 . . . . 0.0 111.172 -179.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.2 -43.62 64.31 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.768 0.318 . . . . 0.0 110.658 178.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.81 -37.38 84.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.03 97.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.696 179.711 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -43.72 91.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 179.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.1 -36.29 56.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.686 179.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.39 94.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.141 179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -60.43 -37.12 79.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.452 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD21 HD11 ' A' ' 81' ' ' LEU . 96.2 mt -61.08 -44.02 98.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.757 179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.85 -38.21 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.9 -32.48 74.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.8 mt -77.28 -42.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.81 -32.0 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mmm -95.2 -0.8 52.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -68.21 134.75 50.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.323 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.67 -38.68 85.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.574 -179.349 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -66.44 -27.64 67.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.836 0.35 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.66 -39.1 53.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -64.37 -42.2 96.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.2 -49.26 65.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.62 -47.74 79.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.0 -53.65 52.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.724 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -62.06 -32.13 72.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.66 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.82 -49.08 76.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.772 -179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -79.16 -46.69 17.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.495 -179.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.1 mmm -52.28 -31.22 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.389 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.72 -31.72 66.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.309 -179.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -97.18 -38.73 9.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.296 -179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -53.8 51.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.671 -179.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.78 -20.57 61.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.477 -179.231 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.2 mt -77.89 -42.28 33.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.68 -28.57 63.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.75 82.0 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.1 139.06 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.523 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.61 107.89 4.11 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.8 p -137.46 176.27 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.253 -179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.56 -63.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -92.98 137.2 32.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 p30 -77.38 156.37 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 61' ' ' ILE . 58.8 mttp -105.42 166.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.958 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.5 mt -79.47 -8.37 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.714 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 59' ' ' LYS . 9.6 tp -69.96 -16.87 20.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.173 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.93 -20.56 62.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.289 -179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.0 m -73.54 -52.7 4.84 Favored Pre-proline 0 CA--C 1.535 0.371 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -179.811 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 36.3 Cg_endo -65.25 -43.33 11.31 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.062 1.841 . . . . 0.0 112.037 179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.2 mt -59.9 -44.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 120.957 0.408 . . . . 0.0 110.826 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 74.7 t80 -60.01 -41.26 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.44 -41.52 98.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.25 -33.32 74.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.99 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -69.4 -41.18 76.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.6 mm -73.17 -28.71 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.462 -179.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.4 p -85.72 -33.02 21.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.704 -179.65 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.1 tm? -89.31 -61.56 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.015 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.09 -58.67 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.5 tm-20 -51.93 -41.44 62.03 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -178.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -68.07 -36.79 80.41 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.17 -51.77 65.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.813 0.34 . . . . 0.0 110.738 179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.2 mt -62.91 -41.24 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.314 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.4 tt0 -60.45 -50.93 71.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.572 -179.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.74 -47.94 84.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.799 0.333 . . . . 0.0 111.529 -179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.85 -33.02 71.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.167 -179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD11 HD21 ' A' ' 28' ' ' LEU . 77.8 mt -78.33 -36.75 45.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.479 -178.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -70.23 -23.99 63.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.527 -178.773 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.1 -18.58 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.871 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -117.0 -16.27 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 32.6 mt -135.77 99.56 11.43 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.175 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -8.2 19.37 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.369 2.046 . . . . 0.0 112.233 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -113.59 16.9 18.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.421 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 25.2 t80 -62.75 148.35 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.598 -179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -130.42 83.87 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.733 179.114 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -57.82 -33.7 68.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.485 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.05 17.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.352 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.461 ' H ' ' ND2' ' A' ' 89' ' ' ASN . . . -69.58 -25.56 64.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.407 -179.707 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -70.43 -49.92 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -62.01 -47.23 85.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.36 -179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 39.9 p -56.19 -48.95 75.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.168 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.625 HG21 ' HB1' ' A' ' 16' ' ' ALA . 88.2 m -68.62 -29.75 68.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.811 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.45 -36.94 79.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -51.29 -42.22 60.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.025 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -78.0 -41.32 36.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.233 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -69.61 -1.59 9.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.4 -23.8 67.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.286 179.554 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.43 -15.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -104.28 -61.36 1.46 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.91 158.65 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 107.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.01 -30.9 79.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.398 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -42.17 99.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.68 0.276 . . . . 0.0 111.357 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.6 mt -71.31 -49.4 48.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.367 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -64.03 -28.83 70.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -48.73 -29.57 4.62 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.673 0.273 . . . . 0.0 110.975 -179.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -72.7 -49.38 31.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 178.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.34 -23.46 66.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.542 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.5 tp -50.74 -27.37 7.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.825 -179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.6 p -62.5 4.44 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.989 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.85 -33.83 76.94 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.715 0.293 . . . . 0.0 110.95 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 72.6 p -138.19 -27.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.342 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.96 86.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.088 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -58.8 -34.22 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 119' ' ' LEU . 3.8 mm? -61.65 -38.2 86.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.646 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -27.04 56.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.932 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.4 -54.49 23.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.353 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -64.95 -42.24 94.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.416 179.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -58.74 -34.64 71.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.361 179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.3 ttp -66.57 -41.24 88.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -63.53 -50.61 68.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.515 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -57.36 -38.83 74.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.5 -49.8 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.29 -34.86 74.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -68.08 -38.35 82.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.97 -30.69 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.67 -17.07 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 132' ' ' LYS . 3.4 mmmp? -63.75 -33.95 76.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.814 179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -91.28 -8.92 46.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.23 -63.08 2.74 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.391 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 60.55 178.53 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 111.15 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.571 179.949 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -138.93 -27.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.46 112.2 23.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.7 mp -97.39 160.04 14.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -160.02 126.67 4.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.57 90.05 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.548 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -72.69 -27.71 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -97.26 127.48 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -141.19 123.77 15.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.754 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.36 110.85 13.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -179.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.05 -69.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.773 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -163.37 -57.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.599 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 56.66 91.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -147.34 119.0 7.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.75 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.511 ' HB3' ' H ' ' A' ' 20' ' ' GLU . 48.1 t -132.12 87.8 2.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.69 -7.52 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.992 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.0 p -60.85 -62.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -175.01 -19.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.366 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.14 -58.34 4.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 111.646 -179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' H ' ' HB3' ' A' ' 15' ' ' SER . 10.2 tp10 -75.1 -40.69 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.812 -179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.7 t80 -55.65 -47.21 77.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.661 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.59 -38.61 89.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.775 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.91 -51.61 63.21 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.796 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 t -58.2 -44.79 88.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.833 179.495 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 21' ' ' PHE . 92.6 t -54.56 -40.72 51.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.736 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.29 99.53 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.628 179.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' HG13 ' A' ' 31' ' ' ILE . 30.9 m-85 -63.48 -30.98 72.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.714 0.293 . . . . 0.0 110.487 179.393 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 25' ' ' VAL . 96.6 mt -63.14 -48.37 78.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.73 179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.09 -42.11 84.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -58.45 -32.76 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.682 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 27' ' ' TYR . 79.0 mt -73.56 -40.78 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.87 -35.5 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.132 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.31 5.49 49.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.69 129.84 40.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -56.77 -48.44 77.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.477 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.3 -28.09 68.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.076 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.32 -39.85 52.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.63 -45.68 91.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 tp -69.09 -43.49 74.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.243 -179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 72' ' ' LEU . 10.2 tp -58.58 -52.95 63.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.652 -179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.56 -50.58 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.702 -179.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -63.0 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.679 -179.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -61.5 -49.08 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.709 -179.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -77.71 -38.24 47.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.624 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.4 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 78.7 mtp -60.17 -25.17 65.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -56.0 -30.81 62.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HD3' HD12 ' A' ' 50' ' ' LEU . 33.4 mmtp -97.76 -36.67 10.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.412 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 4.9 m-85 -56.38 -49.63 73.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.721 -179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -13.14 58.31 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -179.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD12 ' HD3' ' A' ' 47' ' ' LYS . 91.2 mt -81.16 -49.44 10.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.806 0.336 . . . . 0.0 111.016 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.66 -35.74 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -75.35 88.94 2.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -113.18 142.54 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.681 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.34 102.41 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.116 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -139.23 -174.97 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.84 9.91 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -105.86 122.82 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -79.65 127.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -119.5 148.95 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.2 mt -80.45 -8.78 59.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.03 179.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.1 tp -65.82 -16.09 19.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.599 -179.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -70.8 -19.64 62.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.398 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 42.1 m -77.02 -52.8 1.83 Allowed Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 121.164 -0.215 . . . . 0.0 111.471 -179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.4 Cg_exo -61.11 -40.61 49.74 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.845 1.697 . . . . 0.0 112.032 179.104 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.39 -49.83 82.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.927 179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.83 -40.57 72.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -62.53 -36.57 83.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.766 179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.97 -36.26 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.625 179.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 73' ' ' VAL . 72.0 t80 -69.37 -39.06 78.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.07 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.542 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.3 mm -73.8 -29.4 26.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.477 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.3 t -83.96 -31.24 25.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.438 -179.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.56 -62.27 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.6 t -72.66 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.7 tt0 -51.94 -39.68 59.6 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 111.522 -178.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -66.79 -40.93 88.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.55 -44.91 73.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.886 0.374 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.84 -55.23 26.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.566 -179.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' HD23 ' A' ' 82' ' ' LEU . 40.0 tt0 -60.01 -50.88 71.99 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 13.9 mm-40 -53.5 -58.25 7.83 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' NE2' HG12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -61.81 -27.3 68.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.497 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.79 -39.61 43.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.987 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.311 -178.892 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 23.8 mt-30 -52.84 -22.72 5.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.908 0.385 . . . . 0.0 110.593 179.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -117.93 -24.32 7.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.864 179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mt -126.4 80.93 68.53 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.98 -8.25 23.06 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.566 2.177 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -101.22 9.32 41.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.629 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -67.0 147.66 52.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.12 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -134.76 96.81 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.179 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -29.49 65.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.542 -179.426 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.5 -57.87 7.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 111.529 -179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -29.46 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.618 -179.469 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 67.8 t80 -66.46 -45.38 79.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.081 -179.602 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.9 p -65.92 -50.18 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.0 m -55.95 -40.8 73.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.779 0.323 . . . . 0.0 111.074 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.1 m -76.48 -29.6 56.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 97' ' ' LEU . 5.4 tt -65.34 -45.61 83.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -53.18 -36.64 61.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -77.97 -43.73 28.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.318 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.409 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.4 m170 -71.17 -6.54 40.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.748 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -63.75 -14.29 51.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.564 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.84 -16.19 62.82 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.788 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -124.85 -36.95 2.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 100' ' ' HIS . 64.8 t -62.63 148.06 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.89 107.17 0.43 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.26 -30.51 77.76 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.254 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -61.76 -39.54 91.99 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.6 mm -74.13 -49.8 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.628 -179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 30.7 t80 -65.2 -28.36 69.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.32 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -47.95 -28.55 2.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.68 0.276 . . . . 0.0 110.866 -179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -72.23 -52.03 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 0.0 109.806 178.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 78.8 mt -66.18 -22.86 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.798 179.63 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' ' 115' ' ' PHE . 29.3 tp -50.64 -27.33 6.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.998 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.3 p -58.46 -3.4 0.28 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.819 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.411 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.6 m-85 -64.66 -24.89 67.72 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.9 t -140.54 -26.55 0.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.485 -179.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.14 77.42 8.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.719 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.84 -27.79 65.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 -42.27 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.02 -27.03 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.72 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.2 -54.01 40.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.444 179.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 126' ' ' LEU . 61.0 tttp -61.22 -51.5 68.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.608 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.71 -29.35 64.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 55.6 ttp -63.73 -47.57 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.562 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -63.38 -43.35 97.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -61.02 -30.6 70.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.48 -48.02 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.666 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -60.74 -33.53 73.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.492 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -69.92 -43.27 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.814 179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.21 70.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.59 -33.72 74.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.712 179.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -68.88 -25.74 64.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -89.79 -6.88 55.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.79 105.19 2.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.34 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -61.81 134.88 57.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.814 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.528 179.897 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.739 0.304 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -133.0 -4.39 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.72 -66.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 61.7 tp -105.55 130.34 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -105.89 150.97 25.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.976 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 120.32 -88.37 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.601 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.27 148.32 22.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.144 -179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.6 p -143.18 -3.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -68.75 -31.06 69.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 61.0 -176.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.332 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.78 140.27 29.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -119.73 -27.93 5.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -85.01 162.8 19.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -150.91 -36.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 18' ' ' ASP . 80.0 p -146.67 -29.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -57.87 10.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 t -82.55 4.32 25.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 21.7 t70 -100.4 168.69 9.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.2 62.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.586 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.12 -47.19 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 -179.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 58.6 t80 -58.78 -51.42 70.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.734 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -54.27 -38.49 65.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.32 87.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.784 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.58 -37.78 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.862 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' PHE . 42.9 t -58.97 -42.45 86.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.3 -43.28 98.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.168 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -64.18 -35.19 79.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.7 mt -61.88 -48.13 81.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.833 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.11 -36.16 76.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -66.22 -37.49 85.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.861 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.32 -42.74 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.74 -30.74 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 111.034 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 60.1 mtt -97.25 7.03 47.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.999 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -75.13 135.42 41.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -54.81 -46.35 74.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.506 -179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -59.24 -33.87 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.415 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -76.3 -33.5 59.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.397 -179.419 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.08 -48.02 69.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.304 -179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 tp -68.98 -46.07 69.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.344 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.78 -46.12 91.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.267 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.48 -53.44 58.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.398 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.95 -32.51 74.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.475 -179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -58.87 -47.7 83.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.549 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -78.28 -40.86 35.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.315 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.8 mtp -57.38 -24.78 57.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -62.95 -30.99 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.109 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 25.4 tptp -96.15 -43.88 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.16 -51.41 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.815 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -18.96 17.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.367 -179.181 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 85.4 mt -81.0 -45.74 16.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 179.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -66.69 -32.98 74.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.069 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -85.41 80.62 9.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.054 0.454 . . . . 0.0 111.09 -179.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' THR . 42.9 mt-10 -83.81 168.43 16.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.686 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.45 25.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.534 -179.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 53' ' ' GLU . 50.8 p -70.55 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -106.32 -36.9 6.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.5 128.49 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -80.76 150.7 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -128.98 162.11 28.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.7 mm? -80.31 -11.81 59.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.507 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 10.0 tp -70.71 -16.33 19.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.12 0.486 . . . . 0.0 111.231 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -71.99 -19.6 61.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.654 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 48.8 m -75.72 -52.57 2.72 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 28.1 Cg_exo -63.39 -42.12 23.36 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.042 1.828 . . . . 0.0 111.835 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.13 -44.59 99.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.903 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -62.09 -45.02 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -58.53 -33.63 70.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -63.97 -34.52 78.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.65 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 50.4 mm -73.86 -49.57 33.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.595 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 80.4 p -66.42 -30.21 70.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.74 -179.146 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.21 -62.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -179.286 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.2 t -73.19 -60.86 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -177.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.0 tt0 -52.23 -39.58 60.47 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 -178.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 71' ' ' SER . 91.2 mttt -73.28 -31.77 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.936 179.759 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -58.38 -39.76 80.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.977 0.418 . . . . 0.0 110.508 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.71 -51.93 29.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.225 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.67 -47.04 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.323 -179.643 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.15 -49.6 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.56 -29.89 66.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.924 -179.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.03 -36.07 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.546 -179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.38 -27.42 65.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.773 0.321 . . . . 0.0 111.345 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -61.39 -18.54 59.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -114.78 -33.36 5.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 42.0 mt -125.2 97.58 37.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.97 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.54 -5.32 16.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.384 2.056 . . . . 0.0 112.471 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -113.51 16.25 18.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 65.0 t80 -77.58 143.69 38.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.233 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -128.67 102.16 6.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.197 179.293 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.7 tpt -59.63 -21.12 60.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.468 -179.276 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.74 -57.16 4.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.448 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.71 65.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.344 -179.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -70.16 -55.55 9.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.144 -179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 p -58.45 -47.02 85.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.57 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.8 m -56.6 -50.0 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.443 -179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.6 m -68.73 -29.53 67.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.231 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -36.99 85.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.029 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -51.29 -40.78 59.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.726 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -91.62 -34.14 14.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 0.0 110.612 179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -69.62 -5.38 24.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.527 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.37 -16.75 38.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -56.21 -19.81 15.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.896 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -120.3 -46.05 2.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.715 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.93 144.23 6.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.215 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.11 107.38 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.948 179.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.23 -30.45 75.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.592 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -63.51 -37.44 87.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.8 mm -74.4 -49.98 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.544 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -65.89 -29.3 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.237 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -48.98 -30.5 6.1 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.1 tmm? -72.47 -49.02 36.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.514 . . . . 0.0 109.675 179.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.85 -22.73 65.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.476 179.319 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.445 ' C ' ' H ' ' A' ' 115' ' ' PHE . 33.6 tp -50.62 -27.46 6.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 -179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -61.24 2.38 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.445 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.53 -32.86 74.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.72 0.295 . . . . 0.0 110.873 179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 66.7 p -133.94 -31.2 1.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.35 86.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.86 -24.02 65.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.14 -41.02 91.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.558 179.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.46 -33.05 58.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -65.26 -54.24 32.15 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.815 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.542 ' HZ2' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -60.46 -51.98 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.01 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.08 -32.77 70.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.85 -47.69 84.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -64.33 -45.87 85.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.188 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.542 HD21 ' HZ2' ' A' ' 122' ' ' LYS . 57.2 mt -59.24 -30.08 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.63 -49.8 29.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.58 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -56.62 -36.71 69.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -71.02 -36.94 72.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.12 -34.04 74.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.99 -23.68 64.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.448 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 2.7 mmmp? -71.6 -18.25 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -109.23 9.16 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -67.24 -53.9 23.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.668 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -96.62 167.55 11.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.498 179.991 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.61 -55.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.59 143.42 37.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.99 178.77 4.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.5 123.83 16.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -118.37 -44.64 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.431 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -133.11 20.62 4.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m -59.35 -37.06 76.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.24 -25.33 12.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.96 179.788 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.67 146.52 52.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.51 113.32 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 -179.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.3 t -95.68 162.64 13.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -72.14 110.66 6.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.8 t -115.89 148.21 40.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.708 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 59.4 m -151.72 -23.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.175 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.01 -18.69 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.628 -179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.3 m -138.33 16.82 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.94 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -134.82 -85.35 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.001 0.429 . . . . 0.0 111.224 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.04 -57.4 6.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.819 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 15' ' ' SER . 42.7 tt0 -60.42 -47.14 87.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.066 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -56.58 -43.97 80.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.83 -41.1 86.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.14 -45.02 83.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.83 -46.18 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.983 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -52.9 -44.67 49.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.49 85.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.259 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -59.99 -31.38 69.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.723 0.296 . . . . 0.0 110.983 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.45 -44.34 78.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.4 -43.64 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 -179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -59.38 -32.34 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.093 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.35 -35.81 22.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.71 -44.42 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.28 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.427 ' N ' ' SD ' ' A' ' 33' ' ' MET . 1.0 OUTLIER -84.24 3.36 35.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.42 -179.701 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.64 132.35 48.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.586 179.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.16 -49.38 77.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.437 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.53 -24.87 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.01 -179.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -74.71 -40.26 61.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.16 -35.98 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -50.57 49.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.0 tt -64.42 -40.08 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.427 -179.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.0 -49.07 71.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.418 -179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 4.4 tmm_? -69.37 -32.56 71.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.421 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -61.31 -48.42 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.682 -179.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -76.99 -40.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.48 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 16.8 ptm -60.98 -26.54 67.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.485 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.94 -31.59 68.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.19 -37.45 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.098 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -58.41 -52.21 66.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.653 -179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.4 OUTLIER -59.34 -17.65 31.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.524 -179.181 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.18 -44.52 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.775 179.671 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.81 -34.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -81.13 83.36 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.1 143.38 32.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -73.43 98.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.911 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -139.65 172.85 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -91.56 -14.37 30.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.3 123.41 39.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -89.77 143.49 26.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.597 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -116.97 149.56 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.961 -179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.2 tp -79.88 -8.79 59.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -67.9 -16.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.25 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -70.97 -23.17 62.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.367 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 53.9 m -70.4 -53.07 10.65 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.06 -41.82 15.83 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.991 1.794 . . . . 0.0 112.028 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.39 -43.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.7 -43.23 94.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.485 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.14 -28.64 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.68 -37.78 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.7 t80 -65.29 -40.19 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.702 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.8 -29.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.058 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.8 t -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.89 -61.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.445 HG21 ' CE1' ' A' ' 69' ' ' TYR . 50.4 t -66.43 -60.41 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.0 tm-20 -51.79 -38.3 55.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.58 0.228 . . . . 0.0 111.017 -178.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -77.51 -23.51 50.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.978 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -63.7 -51.72 63.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.71 179.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -72.4 -38.78 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.268 -179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.86 -48.9 79.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.561 -179.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 51.2 mt-10 -65.98 -40.33 91.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.353 -179.684 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -58.41 -34.53 70.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.276 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.16 -36.07 58.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.964 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.69 -23.18 65.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 89.2 mt-30 -58.61 -22.69 57.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.501 -179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -121.53 -21.33 6.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mt -129.85 92.82 35.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.833 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 -3.99 14.72 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.364 2.043 . . . . 0.0 112.404 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -110.94 16.23 21.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -80.83 147.58 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.129 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -131.4 100.37 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.387 179.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.44 -17.57 62.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.9 -58.1 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.425 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.51 65.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.296 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.48 -51.01 61.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.221 -179.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.8 p -63.83 -41.08 97.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.405 -179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.9 m -55.66 -46.77 77.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.263 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.425 HG23 ' NE2' ' A' ' 99' ' ' HIS . 91.2 m -75.03 -29.62 60.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -36.05 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.255 -179.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -50.33 -43.8 54.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.757 -179.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' NE2' HG23 ' A' ' 96' ' ' THR . 33.7 p80 -93.77 -29.11 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -69.82 -5.6 26.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.682 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -60.96 -23.45 65.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.536 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.49 -14.68 61.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.731 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -99.86 -59.83 1.64 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -70.33 -175.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.47 108.6 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.29 -38.25 96.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.674 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -56.79 -35.3 68.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 111.278 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.8 mt -74.54 -49.13 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.564 -179.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 13.9 t80 -63.01 -29.19 70.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.394 -179.665 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.513 ' HA ' HD12 ' A' ' 113' ' ' LEU . 52.2 m-20 -49.05 -30.38 6.21 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.093 -179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.9 ttp -71.88 -49.28 39.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.141 0.496 . . . . 0.0 110.201 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 90.3 mt -64.44 -22.76 67.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.285 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 110' ' ' ASP . 21.9 mt -49.89 -27.14 4.78 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.205 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.5 p -58.44 0.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.926 179.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.7 m-85 -64.69 -34.08 77.46 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.65 0.262 . . . . 0.0 111.196 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -151.95 -0.78 0.31 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.673 -179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.1 92.53 7.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.705 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.09 -29.46 60.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.011 -179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.9 tp -66.02 -42.4 89.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.47 -27.48 61.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -67.66 -54.16 21.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.505 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 126' ' ' LEU . 62.4 tttp -68.19 -36.28 79.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -68.77 -31.73 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.077 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -68.42 -47.08 68.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.052 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.3 m-85 -70.89 -44.26 66.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.347 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 122' ' ' LYS . 7.3 mp -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.896 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -43.71 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -66.18 -33.8 76.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -69.37 -46.48 66.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.99 -28.97 70.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.88 -32.69 72.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.646 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -66.68 -28.47 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.002 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -82.51 -0.72 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.031 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -88.97 -31.5 12.1 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.592 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -118.34 115.57 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.501 -179.898 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.732 0.301 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.94 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.251 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.18 145.74 36.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.3 mt -93.93 139.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.996 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -157.26 170.51 22.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.19 47.8 0.21 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.578 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -70.55 -62.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.2 t -102.67 -67.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.806 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -134.7 -168.55 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 174.75 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.43 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 58.36 -171.75 0.1 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -130.84 114.67 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.25 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.7 t80 59.75 -85.32 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.421 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -139.73 171.9 13.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.787 0.327 . . . . 0.0 111.153 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.545 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 77.4 p -145.02 -15.78 0.51 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.062 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.92 -22.08 34.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.435 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . 35.6 t -129.92 18.04 5.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.53 -86.54 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.269 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -67.09 -57.26 7.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.416 -179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.69 -43.06 98.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.928 0.394 . . . . 0.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HB2' ' HA ' ' A' ' 17' ' ' SER . 22.6 t80 -58.34 -38.58 77.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.53 179.87 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.59 -41.11 96.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.77 -46.45 77.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 44.7 t -58.33 -50.47 78.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.729 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 HG11 ' A' ' 104' ' ' VAL . 85.6 t -50.4 -35.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 179.827 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.06 -45.21 92.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.069 179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 43.5 m-85 -58.28 -47.74 82.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.488 0.185 . . . . 0.0 111.16 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -54.88 -46.58 74.79 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.989 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.43 -40.2 71.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -61.83 -32.77 73.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.71 179.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -77.22 -33.2 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.37 -38.56 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 26.4 mmt -87.52 2.28 51.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.28 132.78 46.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -59.62 -48.06 83.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.307 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.43 -23.19 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -77.91 -39.84 41.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.178 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -64.94 -40.26 94.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.777 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 39' ' ' LEU . 3.7 tt -69.26 -46.42 67.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.8 tp -59.24 -52.17 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.358 -179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -62.48 -49.16 76.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.938 -179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -63.99 -33.27 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.593 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -62.01 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.387 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -75.44 -43.76 47.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.625 -179.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.411 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 77.5 mtp -56.61 -27.34 58.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -179.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.94 -33.76 73.68 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.973 179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 22.2 tptp -90.31 -35.77 15.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.162 0.506 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 5.9 m-85 -57.08 -51.23 70.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.538 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -14.35 62.96 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.567 -179.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -72.24 -50.75 24.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.945 0.403 . . . . 0.0 110.097 178.393 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.05 -38.56 82.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.758 179.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -74.12 86.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -102.25 139.79 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -62.74 95.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -133.14 -175.27 3.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 -179.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -6.4 11.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.8 140.69 29.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.659 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -92.01 117.33 29.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.075 -179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -105.76 136.19 45.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.672 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.62 -8.27 53.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.1 tp -64.89 -9.93 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.631 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -67.71 -31.4 71.33 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.65 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 59.6 m -73.24 -52.28 5.42 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 47.4 Cg_exo -56.45 -48.42 19.17 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.103 1.869 . . . . 0.0 112.055 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.42 -41.86 88.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.95 -41.87 92.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -60.01 -39.75 86.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.16 -33.01 75.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.652 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 73' ' ' VAL . 46.8 t80 -66.89 -36.75 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 179.743 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.9 mm -74.09 -29.48 25.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.355 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -85.5 -28.53 24.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.0 tm? -90.73 -63.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' A' ' 69' ' ' TYR . 37.2 t -74.47 -62.09 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 8.0 tp10 -54.32 -32.19 56.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.719 -178.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -75.39 -40.46 57.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.656 0.265 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -57.1 -44.25 83.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.6 mt -68.94 -46.64 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 82' ' ' LEU . 34.3 tt0 -57.91 -47.26 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.535 -179.297 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 14.7 mm-40 -62.48 -53.41 55.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.37 -28.81 65.49 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.8 mt -78.91 -38.2 38.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 111.332 -179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.86 -23.4 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.434 -178.863 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 28.9 mm-40 -56.96 -18.34 13.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.908 179.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -123.82 -9.59 7.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.22 89.1 16.67 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.64 -8.79 24.52 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.642 2.228 . . . . 0.0 112.658 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -112.3 17.12 19.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB3' HD22 ' A' ' 82' ' ' LEU . 39.9 t80 -66.21 148.27 52.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.606 -179.582 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -135.85 87.15 2.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.955 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.2 tpt -60.77 -26.22 67.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.63 -179.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.32 -55.38 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.937 0.398 . . . . 0.0 111.277 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.17 -28.11 62.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.278 -179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 77.4 t80 -69.6 -42.35 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.313 -179.642 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.7 p -69.55 -50.73 42.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.74 -179.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.2 t -56.1 -37.14 68.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.347 . . . . 0.0 111.051 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.1 m -76.76 -33.25 58.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -64.35 -36.22 83.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -179.774 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -50.48 -37.63 39.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.768 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -101.89 -28.2 12.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.842 0.353 . . . . 0.0 110.814 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -70.51 -7.09 41.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -61.89 -18.68 61.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.718 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.22 -12.78 44.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -64.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.655 179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG11 HG21 ' A' ' 25' ' ' VAL . 21.1 m -65.67 176.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.84 107.87 3.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.2 -30.78 76.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.588 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -61.9 -38.91 90.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 111.283 -179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 79.6 mt -73.55 -49.33 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.427 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -64.34 -28.73 69.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -48.21 -28.95 3.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.999 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 49.2 ttp -71.83 -51.97 19.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.157 0.503 . . . . 0.0 109.749 178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.37 -23.31 66.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.695 179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.9 tp -50.84 -27.46 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.875 -179.509 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.9 p -62.31 3.07 0.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.861 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.9 m-85 -64.81 -16.53 63.21 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.331 . . . . 0.0 110.641 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.0 t -155.09 -25.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.374 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -75.19 84.08 2.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -56.51 -31.81 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.393 -179.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.94 -43.54 91.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.757 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.37 -26.32 55.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.97 -55.14 20.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.973 -179.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' HD13 ' A' ' 126' ' ' LEU . 84.2 tttt -69.22 -40.16 78.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.871 -179.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.49 -29.19 70.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 ttp -71.51 -47.72 53.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -63.24 -47.01 84.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.2 mp -60.09 -37.72 80.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.123 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -69.93 -34.18 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 110.317 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.18 -33.43 73.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.578 179.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -69.69 -43.28 72.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.24 71.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.194 -179.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -62.06 -25.24 67.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.038 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -63.17 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.6 -6.84 59.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -84.68 -41.06 7.91 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.345 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -126.32 -59.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.463 -179.962 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -136.35 158.34 44.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.85 119.1 38.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.0 tp 61.02 105.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.74 151.54 28.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.776 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.66 95.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.552 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -119.73 120.71 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 m 59.69 -179.78 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.254 179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -83.45 156.83 22.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.27 97.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.258 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -105.78 164.54 11.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -156.5 101.88 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -89.85 -1.1 57.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -102.21 150.44 23.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -151.9 -57.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 96' ' ' THR . . . -63.94 -56.36 15.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.145 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.9 m -76.29 2.87 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -107.43 160.55 15.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.92 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.401 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.13 -37.58 69.64 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 89.5 t80 -55.83 -53.73 53.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.73 0.3 . . . . 0.0 110.762 179.609 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.28 -38.02 73.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.81 88.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.988 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.06 -41.75 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -56.14 -39.75 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.39 -47.35 71.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.33 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -57.31 -34.21 68.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.777 0.322 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 81' ' ' LEU . 95.8 mt -65.9 -48.22 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -54.57 -42.25 70.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.17 -179.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.7 -33.78 74.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.074 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.15 -38.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.09 -32.83 59.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 64.3 mtt -93.18 9.53 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 36' ' ' GLU . 7.4 t0 -79.57 137.91 37.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -57.73 -48.01 80.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HG2' ' OD1' ' A' ' 34' ' ' ASP . 13.1 pt-20 -60.08 -27.21 66.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.197 -179.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -77.31 -37.08 53.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.026 -179.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -67.16 -48.18 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.5 tp -62.37 -41.94 99.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.01 -52.45 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.398 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.28 -53.14 57.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.592 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -63.57 -32.14 73.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.472 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -59.71 -49.06 79.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.433 -179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -78.75 -39.05 37.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.689 -179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.2 mtp -59.3 -25.16 63.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.775 0.321 . . . . 0.0 110.738 179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.32 -30.33 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.79 179.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HD23 ' A' ' 50' ' ' LEU . 43.7 tptt -89.08 -52.57 5.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.9 m-85 -55.55 -52.96 61.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.224 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -28.67 64.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -178.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -82.75 -39.94 21.18 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.888 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 48' ' ' TYR . 18.4 pt-20 -74.02 -38.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.946 0.403 . . . . 0.0 111.074 -179.417 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.96 93.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -110.61 143.94 40.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -70.89 107.09 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.7 p -127.03 -177.88 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.993 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 57' ' ' GLU . 10.5 pt-20 -108.82 -19.2 13.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.269 -179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 45.3 mt-10 -108.97 133.26 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -80.99 158.89 25.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -130.03 155.87 45.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.4 tp -80.52 -12.74 59.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.786 179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.7 tp -68.02 -16.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.486 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -70.55 -19.08 62.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.379 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 86.5 m -73.91 -53.16 4.2 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.434 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 26.6 Cg_endo -63.75 -41.86 22.65 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.919 1.746 . . . . 0.0 111.934 179.049 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.04 -43.58 89.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.671 179.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' O ' HG12 ' A' ' 70' ' ' ILE . 83.8 t80 -62.32 -41.41 98.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.428 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.32 -27.52 69.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 179.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.3 -42.78 61.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 78.3 t80 -61.88 -35.85 79.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.12 0.486 . . . . 0.0 110.533 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.543 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 34.8 mm -73.94 -51.69 23.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.044 179.872 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 48.3 t -60.85 -31.05 70.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.527 -179.583 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 3.3 tm? -90.05 -63.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.9 t -73.7 -59.5 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.12 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.2 tm-20 -51.89 -41.81 62.21 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.655 0.264 . . . . 0.0 111.186 -178.752 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' SER . 66.1 mttm -74.24 -28.24 61.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.074 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 64.2 t80 -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.498 179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -72.23 -45.91 59.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.4 -50.4 73.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.88 -179.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.72 -49.47 76.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.01 -32.05 67.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.376 -179.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 28' ' ' LEU . 87.6 mt -76.85 -35.06 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.981 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.41 -24.79 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.208 -179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.06 -21.63 59.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -116.64 -29.89 5.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 33.8 mt -126.92 89.48 51.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.02 -4.78 13.16 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.614 2.209 . . . . 0.0 112.391 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -111.77 10.05 20.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.754 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 61.5 t80 -72.3 139.55 48.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -125.24 94.26 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.26 179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.1 ttt -58.88 -25.57 63.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.777 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.98 -56.88 11.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 111.215 179.851 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.23 -28.75 64.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.18 -48.93 66.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -62.7 -49.03 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.577 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 58.1 m -55.23 -39.27 69.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 111.137 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.436 HG21 ' HB2' ' A' ' 16' ' ' ALA . 62.4 m -76.57 -30.56 57.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.034 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.29 -37.01 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -51.01 -43.2 60.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.379 -179.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -76.11 -41.66 49.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.501 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -70.51 -1.58 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -64.28 -19.67 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.327 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -78.29 -15.56 58.63 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.898 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -103.06 -59.86 1.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -63.93 179.92 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.219 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.61 108.19 5.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.27 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.07 -30.65 78.37 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.267 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -64.52 -36.53 84.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.59 0.233 . . . . 0.0 111.288 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.41 -49.93 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.347 -179.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 38.9 t80 -65.25 -28.38 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -47.73 -29.01 2.75 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.004 -179.369 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 50.3 ttp -72.22 -52.12 17.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 109.685 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 77.8 mt -65.8 -22.58 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.55 179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.568 ' HG ' ' OD1' ' A' ' 117' ' ' ASP . 30.9 tp -50.94 -28.15 9.15 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.323 -179.395 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.9 p -62.27 -3.48 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.446 179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -26.34 66.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.038 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 81.9 p -121.62 -45.78 2.28 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.163 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.568 ' OD1' ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -83.57 92.38 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.1 0.476 . . . . 0.0 111.642 -179.153 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -61.75 -30.95 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.441 179.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.37 179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.44 61.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.321 179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -63.23 -54.44 37.34 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.397 179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -62.86 -44.99 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.423 179.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.53 -30.46 68.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.6 ttp -65.77 -44.92 84.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -63.37 -42.72 98.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 179.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mp -58.51 -40.49 83.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.729 0.3 . . . . 0.0 111.089 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.58 -49.34 55.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -54.15 -45.74 72.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -67.07 -42.85 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.93 -33.14 35.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -58.87 -48.42 81.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.039 179.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 132' ' ' LYS . 0.8 OUTLIER -67.92 -24.2 65.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.017 -179.842 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -98.7 7.01 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.816 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -101.16 7.27 56.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.45 179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -122.55 -0.67 9.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 111.052 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.355 -1.247 . . . . 0.0 112.371 -179.9 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 tpt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.764 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -165.93 157.55 14.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.07 112.55 7.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -168.53 -31.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.12 -176.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.43 -0.07 86.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -110.4 104.29 13.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.986 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -132.79 154.08 50.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.684 179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -62.52 112.16 2.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.86 -56.69 1.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.5 tp 58.59 19.87 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.0 m -132.87 -32.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -77.02 -31.05 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 110.56 179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.1 m -82.01 108.94 15.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.761 179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -163.14 -59.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.19 32.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 t -88.39 10.04 21.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.469 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -104.93 167.7 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -22.82 21.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.499 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -55.75 -45.9 77.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' O ' HG23 ' A' ' 25' ' ' VAL . 85.8 t80 -58.17 -41.28 83.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.055 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.78 -39.65 92.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.26 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.14 99.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.226 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.1 t -60.28 -43.54 93.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' PHE . 58.2 t -61.1 -37.31 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -53.45 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.62 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 31' ' ' ILE . 23.3 m-85 -56.91 -39.04 73.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.587 0.232 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.38 -47.54 81.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.41 -44.26 80.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.745 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -61.53 -32.93 73.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' TYR . 85.7 mt -73.31 -36.34 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.283 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.73 -39.11 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.043 179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.9 mmm -92.2 8.43 38.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -179.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.73 135.98 52.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.39 -48.93 77.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.387 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.22 -26.84 68.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.141 -179.696 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -78.13 -39.4 41.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.96 -44.22 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.1 tp -69.02 -45.76 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.609 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.45 -52.32 58.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.597 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -58.99 -46.67 87.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.603 -179.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -68.16 -33.14 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.462 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.39 -48.48 81.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.499 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -75.44 -46.36 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.548 -179.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.0 mtp -57.16 -26.67 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.233 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.87 -31.05 71.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' A' ' 50' ' ' LEU . 1.4 tmmm? -96.15 -37.43 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.798 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -55.91 -48.86 74.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.67 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -15.65 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.645 0.26 . . . . 0.0 111.259 -179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 47' ' ' LYS . 99.1 mt -81.28 -44.37 17.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.823 0.344 . . . . 0.0 110.976 179.618 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -72.68 -37.66 67.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -73.08 88.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.02 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -99.34 144.71 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.793 179.776 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -86.24 96.42 9.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.814 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.7 p -138.06 179.1 6.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.032 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -83.43 -41.55 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -87.38 122.44 31.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -88.17 149.74 23.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 61' ' ' ILE . 1.4 mptp? -107.19 156.9 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.988 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.34 -9.22 59.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.6 tp -65.28 -15.6 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.327 -179.653 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -71.11 -20.96 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.507 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 89.6 m -74.06 -52.77 4.2 Favored Pre-proline 0 CA--C 1.534 0.35 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.26 -42.01 19.32 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.93 1.753 . . . . 0.0 112.05 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.38 -43.72 97.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.835 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -60.23 -37.09 79.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.594 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.58 -35.99 82.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.752 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -36.67 83.62 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE2' HG21 ' A' ' 73' ' ' VAL . 41.2 t80 -68.87 -44.83 72.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.085 0.469 . . . . 0.0 110.742 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.1 mm -70.21 -28.47 35.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.052 179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.3 t -80.13 -41.18 25.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.776 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -89.35 -62.26 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -178.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 69' ' ' TYR . 47.0 t -59.8 -60.7 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -177.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.3 tt0 -52.33 -43.21 64.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.587 0.232 . . . . 0.0 111.365 -178.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -76.31 -21.97 55.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.155 -179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -63.91 -44.13 93.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.827 0.346 . . . . 0.0 110.256 179.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.22 -45.03 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.49 -47.35 79.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.459 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 28.2 mm-40 -64.41 -48.59 74.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.528 -179.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -58.19 -30.58 66.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.685 0.279 . . . . 0.0 111.114 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.88 -39.56 42.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.202 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.05 -25.12 66.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.254 -179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 27.0 mt-30 -61.94 -18.8 61.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.522 ' HB2' HD12 ' A' ' 85' ' ' ILE . 98.7 mtt180 -115.52 -27.17 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.522 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.8 mp -132.91 95.56 19.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.701 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.38 -2.52 10.75 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.511 2.141 . . . . 0.0 112.612 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -113.66 14.73 18.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -82.18 144.64 30.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.569 HD22 ' H ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -123.41 103.15 8.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.451 179.775 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -62.69 -28.71 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 -179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.569 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -73.12 -51.02 19.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.216 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.34 -25.85 65.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.21 -48.95 39.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.8 p -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.369 -179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 ' HA ' HE21 ' A' ' 98' ' ' GLN . 40.4 p -57.14 -49.75 74.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.977 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -67.63 -29.36 68.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.7 tt -62.79 -37.97 88.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.58 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.569 HE21 ' HA ' ' A' ' 95' ' ' THR . 42.7 mt-30 -51.76 -36.3 46.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.875 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -75.6 -44.05 45.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -70.04 -3.96 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -65.71 -13.95 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.549 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -81.53 -18.84 43.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.226 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -114.81 -52.88 2.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.45 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 p -58.04 160.59 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.64 107.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.66 -30.85 78.27 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.13 -39.03 93.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.232 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.8 mt -71.94 -49.92 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.405 -179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -65.81 -28.94 69.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -48.49 -29.34 4.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 46.4 ttp -72.57 -51.2 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 109.958 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -66.62 -22.99 66.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.441 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 115' ' ' PHE . 35.4 tp -50.82 -27.44 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.01 -179.557 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -62.01 4.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.997 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.44 -34.51 78.36 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.693 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 78.0 p -140.5 -9.01 1.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.406 -179.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -95.11 88.13 5.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 111.317 -179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.69 -24.16 65.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 119' ' ' LEU . 0.6 OUTLIER -63.73 -43.41 96.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.966 179.593 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.77 59.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.01 -54.51 29.14 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.47 -28.74 65.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.6 ttp -66.65 -47.28 73.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -70.92 -45.52 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.397 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 6.7 mp -56.56 -35.26 67.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 110.698 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.75 -41.69 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 179.617 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.37 -37.37 83.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.585 179.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -70.88 -36.42 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 179.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.11 -37.06 81.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -62.03 -29.35 70.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.15 -36.13 77.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.93 0.58 30.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.076 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.26 -48.14 0.99 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.565 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 65.72 129.83 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.949 0.404 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.466 179.999 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.719 0.295 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.45 85.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 98.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.412 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -126.5 121.42 32.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -132.84 123.92 27.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.96 -179.82 53.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.684 -179.845 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.7 -51.99 4.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.768 0.318 . . . . 0.0 110.787 -179.849 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.4 p -86.53 -177.21 6.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.3 t80 60.25 99.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.35 172.38 8.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.89 120.35 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -162.55 1.87 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 58.14 98.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.9 t -120.27 126.82 51.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.588 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . 51.0 m -87.75 -41.16 13.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -71.21 -4.39 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.579 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p -52.63 -80.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.24 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -173.88 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.153 0.502 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.05 -56.93 13.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.334 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' HB3' ' HA ' ' A' ' 15' ' ' SER . 9.4 tp10 -62.36 -47.41 84.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -50.15 -45.19 53.02 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.686 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.92 79.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.01 -52.8 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 179.71 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 39.1 t -50.08 -35.14 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.377 179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.61 -46.22 90.7 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.997 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -58.62 -49.13 78.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.538 0.208 . . . . 0.0 111.279 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.3 mp -55.35 -47.32 75.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.013 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 47.1 mt-10 -52.4 -47.04 66.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.165 -179.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -57.66 -32.86 67.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 179.829 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.9 mt -75.99 -34.24 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 28' ' ' LEU . 64.4 mt -63.47 -35.24 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.169 -179.824 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.5 mmt -90.61 6.16 44.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.225 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.17 129.22 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.659 179.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -58.06 -48.3 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.316 -179.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -60.26 -26.93 66.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.773 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -74.29 -48.67 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -66.17 -28.07 68.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -69.7 -49.94 48.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.13 -48.1 71.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.251 -179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.19 -43.66 82.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.308 -179.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 30.4 ttm180 -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.209 -179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.54 -48.86 79.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.609 -179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -77.04 -41.75 41.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.674 -179.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 2.7 ppp? -59.96 -25.67 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.769 0.319 . . . . 0.0 110.847 -179.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.64 -31.06 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 47' ' ' LYS . 2.5 tmmm? -95.2 -41.14 9.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.555 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -56.87 -50.97 70.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.857 -179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.6 OUTLIER -58.95 -20.43 52.25 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.566 0.222 . . . . 0.0 111.43 -179.027 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.75 -39.76 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.913 0.387 . . . . 0.0 110.774 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' HG2' HD13 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -72.03 -41.18 67.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.641 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -71.94 91.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.006 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -100.92 150.28 23.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' HB2' HH22 ' A' ' 129' ' ' ARG . 18.2 t70 -62.7 93.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -140.69 154.04 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -91.7 -15.96 27.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.168 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -92.16 138.3 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.99 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -112.01 118.06 34.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HB2' HG22 ' A' ' 61' ' ' ILE . 7.9 mtpm? -87.79 171.62 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.9 mt -80.03 -11.42 59.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.9 tp -68.12 -19.54 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -71.08 -18.07 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.514 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 97.9 m -74.15 -52.92 4.05 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.428 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.3 Cg_endo -65.86 -40.83 15.57 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.001 1.8 . . . . 0.0 111.997 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.518 HD13 ' HG2' ' A' ' 51' ' ' GLU . 96.4 mt -60.26 -46.71 94.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.0 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -60.95 -44.65 96.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -59.4 -30.98 68.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 -179.821 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.09 -44.57 72.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.82 -31.63 71.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.121 0.486 . . . . 0.0 110.648 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.2 mm -73.28 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.205 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 79.8 p -59.47 -25.79 64.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.18 -64.32 1.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.72 0.295 . . . . 0.0 111.726 -179.9 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.68 -61.56 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.497 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.6 tt0 -52.23 -43.94 64.56 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 111.554 -178.728 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' SER . 82.1 tttt -67.67 -37.71 82.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.822 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -54.86 -48.63 72.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 79.0 mt -64.26 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.868 0.366 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 82' ' ' LEU . 37.5 tt0 -60.42 -49.16 78.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.52 -179.54 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 36.9 mm-40 -59.95 -52.81 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.175 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.45 -29.88 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.081 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.42 -36.56 45.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 111.215 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -71.23 -23.06 61.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.236 -178.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.3 mt-30 -59.07 -18.22 33.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.953 0.406 . . . . 0.0 110.429 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -113.55 -30.06 6.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.581 179.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 88' ' ' PHE . 43.9 mt -124.55 96.96 40.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.66 -9.05 22.32 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 122.408 2.072 . . . . 0.0 112.611 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -111.76 16.06 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.504 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.414 ' N ' HG22 ' A' ' 85' ' ' ILE . 40.3 t80 -62.49 148.25 46.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.607 -179.494 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.32 85.15 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.194 179.22 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -62.54 -27.48 69.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.249 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.51 17.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.061 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.46 66.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.39 -48.74 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.789 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 p -64.17 -40.51 96.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.8 m -57.24 -46.51 82.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.401 HG21 ' HB1' ' A' ' 16' ' ' ALA . 45.8 m -74.03 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.24 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -37.29 80.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -51.49 -31.64 24.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -96.71 -31.27 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.496 179.628 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -68.06 -7.71 31.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.986 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -59.13 -24.25 62.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.28 -2.63 19.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.332 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -126.96 -55.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.128 -179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.15 161.81 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.093 -179.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -61.91 107.12 0.79 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.872 179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.04 -30.6 77.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.567 -179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.69 -40.69 92.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.561 0.22 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 105' ' ' ALA . 66.0 mt -68.21 -49.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 111.253 -179.683 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.3 t80 -65.52 -28.71 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.614 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 113' ' ' LEU . 19.2 t70 -48.73 -31.13 6.41 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 -179.775 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.7 ttp -72.69 -48.86 35.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.25 0.548 . . . . 0.0 110.113 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 96.2 mt -64.4 -22.54 66.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.436 -179.791 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 110' ' ' ASP . 22.4 mt -49.93 -27.33 5.15 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.016 -179.577 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.0 p -56.57 -3.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.163 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.4 m-85 -64.4 -34.71 78.8 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.678 0.275 . . . . 0.0 110.811 179.808 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.3 p -143.24 -36.11 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.523 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.31 92.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.87 -27.51 66.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.97 -40.54 96.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.15 -31.22 58.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -65.2 -54.33 31.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.805 -179.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -64.72 -45.18 87.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -61.53 -32.64 72.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.14 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 63.1 ttp -65.02 -47.65 76.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 36.5 m-85 -68.64 -48.24 64.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.487 -179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.14 -33.86 69.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.3 -46.59 66.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.736 179.672 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.87 -33.56 74.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.739 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.534 HH22 ' HB2' ' A' ' 54' ' ' ASP . 61.1 ttp180 -65.34 -46.49 80.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.72 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.83 -21.75 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -66.85 -22.36 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.054 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -69.56 -23.99 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 116.24 -39.47 2.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -139.88 -28.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 110.721 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.505 -179.907 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -150.85 -14.01 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.016 -179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.87 137.91 58.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 52.5 tp -119.75 -28.13 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.64 158.17 34.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -113.32 -34.28 1.8 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.69 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 44.3 tt0 -121.68 141.61 50.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.704 0.287 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -60.8 -27.29 67.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 78.3 t80 -89.39 121.31 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.63 168.48 21.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -112.95 169.51 8.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -100.34 176.46 5.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -93.17 164.05 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.798 -179.858 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -107.72 -172.22 2.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.1 p -127.76 -33.16 2.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.49 73.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.1 m -84.0 -5.73 59.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -92.97 167.41 11.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.7 -22.61 57.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.347 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -55.55 -43.7 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.249 -179.474 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -61.1 -47.98 83.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.318 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' HA ' HG12 ' A' ' 25' ' ' VAL . 18.5 t70 -62.17 -28.71 69.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.557 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.74 72.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 110.48 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.2 t -66.15 -51.74 56.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.943 179.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -55.88 -33.49 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.46 -45.49 93.07 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.731 179.497 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -58.16 -37.37 74.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.813 0.34 . . . . 0.0 110.428 179.348 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 HD21 HD11 ' A' ' 81' ' ' LEU . 52.1 mt -59.5 -48.49 81.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.714 179.708 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 43.7 mt-10 -55.25 -42.96 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.22 -38.11 82.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.839 179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -71.51 -33.3 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 93.8 mt -64.02 -35.52 73.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.5 mtp -87.88 1.9 52.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.266 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -70.95 137.87 49.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.892 0.377 . . . . 0.0 110.693 -179.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -60.28 -45.86 91.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.167 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.47 -23.91 67.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.147 -179.738 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -75.99 -48.77 19.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -58.93 -43.19 91.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.82 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.52 -40.86 93.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.438 179.863 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 72' ' ' LEU . 26.3 tp -61.05 -52.31 65.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.424 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 7.6 tp60 -60.95 -50.33 73.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.513 -179.284 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.7 -32.63 74.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.763 -179.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.96 -48.99 79.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.521 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.08 -41.63 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.535 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 75.4 mtp -58.56 -24.75 61.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.761 0.315 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.02 -31.08 70.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.002 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 19.3 tptm -99.73 -42.16 6.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.456 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 4.4 m-85 -54.17 -49.09 70.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.529 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.1 -18.2 60.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.519 -179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' LYS . 74.2 mt -79.14 -50.12 11.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.25 -26.43 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -80.22 86.15 5.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -100.16 140.72 33.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.794 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.84 92.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -145.05 176.82 9.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.39 8.0 12.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.802 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -94.22 119.87 33.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -77.48 132.88 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.775 179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -123.01 156.2 35.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.049 -179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.8 tp -78.78 -15.66 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.174 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -65.06 -20.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 111.213 -179.706 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -72.31 -21.2 61.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.543 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.462 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 94.1 m -67.93 -52.71 23.26 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.752 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.626 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 56.3 Cg_endo -70.77 -41.88 2.71 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.976 1.784 . . . . 0.0 112.557 179.558 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.79 -36.07 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 110.723 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -71.85 -51.56 21.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' A' ' 64' ' ' PRO . 16.9 p30 -60.46 -23.55 64.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.33 -43.3 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.609 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.456 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 73.0 t80 -61.14 -34.69 75.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 30.5 mm -73.64 -52.24 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.343 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 77.8 p -66.5 -27.54 67.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.827 -179.26 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.41 -63.45 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.417 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.33 -61.51 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 37.7 tt0 -52.35 -39.51 60.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.372 -178.817 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.532 179.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.79 -38.08 74.86 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.9 mt -70.69 -45.87 71.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.6 -44.06 93.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 -179.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -62.2 -49.71 74.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.809 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -58.52 -36.77 74.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.739 -179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.641 HD11 HD21 ' A' ' 28' ' ' LEU . 57.9 mt -71.79 -37.76 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.55 -23.81 65.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -57.19 -22.64 42.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.053 179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 85' ' ' ILE . 21.0 tpt180 -108.73 -33.44 6.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 3.9 mp -130.99 101.25 16.69 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.53 -6.88 19.89 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.452 2.102 . . . . 0.0 112.781 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -113.71 16.93 18.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.798 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 77.3 t80 -74.88 145.98 42.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.368 -179.555 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.435 ' C ' HD22 ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.78 99.39 7.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.225 179.461 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 tpt -60.85 -33.65 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.496 -179.529 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.13 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.776 -179.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.19 78.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.677 -179.486 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.18 -45.89 68.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.339 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 p -57.56 -51.3 70.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.56 -179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -56.93 -51.22 70.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.441 -179.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.8 m -62.61 -30.7 71.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.328 -179.745 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 -36.08 81.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.319 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -50.64 -45.93 58.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.734 -178.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -89.17 -31.37 17.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.754 0.311 . . . . 0.0 110.754 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -67.96 -6.8 24.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.608 -179.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HA ' HG22 ' A' ' 104' ' ' VAL . 25.4 ttpp -58.45 -18.65 30.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.774 179.731 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -64.44 -6.23 6.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.461 -179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -115.63 -60.47 1.87 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.732 0.301 . . . . 0.0 111.225 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 101' ' ' LYS . 19.2 m -63.63 177.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.308 -179.817 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 107.64 6.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 -179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.85 67.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.412 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -62.89 -34.83 78.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.74 0.305 . . . . 0.0 111.023 179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.1 mt -73.09 -49.08 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 17.8 t80 -63.65 -28.69 70.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.77 179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.454 ' HA ' HD12 ' A' ' 113' ' ' LEU . 23.6 t70 -48.87 -33.03 9.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 43.4 ttp -72.34 -46.55 55.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.219 0.533 . . . . 0.0 109.893 179.095 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 48.6 mt -64.21 -23.01 67.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.357 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 110' ' ' ASP . 27.7 mt -50.1 -27.14 5.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.274 -179.562 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -58.22 -0.32 0.09 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.442 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.5 m-85 -64.58 -34.53 78.47 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.735 0.303 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 58.6 p -141.56 -31.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.617 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -67.69 88.8 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -61.74 -24.58 66.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.562 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -69.55 -37.55 77.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.671 179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -27.17 57.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -69.17 -54.71 13.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -64.61 -48.81 73.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.033 -179.784 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.98 -30.57 68.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -65.55 -45.98 81.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.717 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.99 -39.42 93.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.287 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.84 -48.08 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.098 -179.654 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.57 -42.59 99.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -60.11 -39.9 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -66.0 -34.98 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.89 -32.44 73.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.69 -18.21 63.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.234 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -69.27 -17.46 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.078 179.842 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -63.42 -18.24 63.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.959 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.7 71.52 1.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.691 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -158.67 144.74 16.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.76 0.314 . . . . 0.0 110.722 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.436 -179.94 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -130.27 154.07 47.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.863 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.07 -29.42 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.4 mt -125.91 120.03 29.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.93 128.67 36.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.15 148.32 4.8 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.37 132.61 35.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -169.89 10.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -153.73 -173.27 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 111.008 -179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.87 122.45 11.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.63 -65.13 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.734 -179.743 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -79.03 125.83 29.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -179.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -95.95 -56.42 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.73 179.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.5 p -82.0 135.3 35.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m -146.69 -45.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.066 -179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -62.99 -7.78 5.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.452 -179.757 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.8 t -122.04 18.87 10.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -157.43 -91.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.69 -179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.38 -56.91 11.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.794 -179.279 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.1 tp10 -61.61 -33.42 73.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.675 0.274 . . . . 0.0 110.984 -179.786 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.9 -55.49 34.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.068 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -60.44 -31.89 70.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.18 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 20' ' ' GLU . 50.2 t -62.35 -41.07 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.5 -42.47 68.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.22 -45.5 93.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.373 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -63.2 -34.81 78.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.734 0.302 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.51 -48.55 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.045 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.63 -40.08 82.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.709 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.61 -33.38 73.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.69 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.8 mt -74.84 -39.36 45.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.035 179.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.76 -34.51 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 86.7 mtp -99.34 16.15 23.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -84.78 132.87 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.09 -50.48 70.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.432 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.4 -29.9 64.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.1 -179.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -73.55 -40.19 64.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -66.93 -34.56 78.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.79 -45.84 73.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.42 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 72' ' ' LEU . 19.9 tp -63.44 -51.34 66.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.454 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.25 -51.45 69.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.954 -178.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -63.96 -38.65 91.88 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.058 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -58.96 -48.79 80.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.717 -179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -77.25 -40.53 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.694 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtp -59.66 -24.94 64.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.737 179.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.8 -30.7 67.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' HA ' HD23 ' A' ' 50' ' ' LEU . 25.9 tptp -93.16 -50.01 5.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.987 -179.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -53.55 -52.83 58.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.124 -179.101 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -32.4 58.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.745 0.307 . . . . 0.0 111.572 -178.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -81.65 -25.53 35.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.206 -179.374 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' HG2' HD13 ' A' ' 65' ' ' ILE . 2.5 tp10 -80.84 -41.34 23.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.935 0.398 . . . . 0.0 110.739 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -78.31 87.21 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.06 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -94.47 139.74 30.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.434 179.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -69.36 101.11 1.47 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.938 0.399 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -137.48 175.88 9.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.92 -32.38 14.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -81.97 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -96.64 125.4 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.69 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -96.29 153.22 17.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.7 tp -80.04 -12.7 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.784 179.852 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -63.36 -18.25 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.224 -179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -70.83 -20.75 62.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.513 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.488 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 91.3 m -71.53 -52.97 8.0 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.554 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.6 Cg_endo -64.9 -43.47 12.05 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.991 1.794 . . . . 0.0 111.918 179.274 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 51' ' ' GLU . 95.2 mt -59.87 -40.63 83.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.77 179.78 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -61.17 -42.99 99.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.517 179.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -58.17 -37.46 74.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.7 -44.64 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.372 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 73' ' ' VAL . 59.2 t80 -60.3 -32.06 70.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.825 179.882 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 48.8 mm -73.3 -61.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.392 -179.815 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.7 t -58.19 -25.78 61.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.668 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.63 -64.4 1.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 69' ' ' TYR . 62.0 t -74.36 -60.5 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.617 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.1 tm-20 -51.79 -42.5 62.48 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.78 0.324 . . . . 0.0 110.808 -179.03 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -67.92 -35.22 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -58.82 -45.38 90.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.46 -45.62 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.05 -46.11 92.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 47.2 mt-10 -63.5 -41.85 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.478 -179.308 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -58.57 -42.83 88.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.392 -179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.9 mt -71.41 -34.75 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.038 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.89 -24.85 64.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 74.2 mt-30 -63.76 -20.19 65.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -120.66 -18.53 7.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.8 mt -135.09 82.68 41.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.806 179.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.23 -4.58 9.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.644 2.23 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -110.6 16.53 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.815 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -83.45 146.36 28.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -126.49 99.1 5.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.29 179.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.0 tpt -63.33 -35.04 79.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.424 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -53.67 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.92 -31.19 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.506 -179.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.67 -45.7 78.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.126 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.1 p -64.32 -44.61 91.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.334 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.2 m -56.84 -46.66 81.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.3 m -70.96 -29.41 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.65 179.627 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.5 tt -61.53 -36.59 81.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -50.85 -36.22 36.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.478 -179.022 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -86.92 -37.88 17.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.0 110.448 179.448 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.68 -2.63 17.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 104' ' ' VAL . 38.7 ttpt -66.76 -19.01 65.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.317 179.609 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -76.82 -9.38 58.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -116.06 -59.75 1.95 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.039 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 101' ' ' LYS . 9.4 p -56.1 158.9 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.48 107.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.219 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.91 -30.86 79.12 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -65.36 -35.96 82.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.673 0.273 . . . . 0.0 111.263 -179.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.7 mm -72.62 -50.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 16.7 t80 -64.22 -29.01 70.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 113' ' ' LEU . 22.7 t70 -49.19 -36.47 19.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -72.74 -42.8 63.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.24 0.543 . . . . 0.0 110.086 179.225 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 91.6 mt -65.53 -23.29 66.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.265 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 110' ' ' ASP . 35.0 mt -50.42 -26.97 5.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.124 -179.726 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -57.2 0.38 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.464 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.8 m-85 -64.35 -35.38 80.69 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.707 0.289 . . . . 0.0 110.849 179.664 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.1 p -146.15 -31.62 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.393 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.67 90.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.044 -179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.23 -23.54 64.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -66.16 -42.25 89.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.484 179.879 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.39 -31.51 58.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.03 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -66.21 -53.3 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.576 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -45.75 88.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.869 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.28 -29.12 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 61.4 ttp -65.78 -47.24 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.94 -41.9 95.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.64 -41.2 97.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.715 0.293 . . . . 0.0 111.057 179.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.94 -30.76 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -69.4 -45.08 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -66.04 -41.28 91.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.0 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.39 -27.51 67.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -60.96 -49.33 77.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -86.26 4.86 37.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -77.58 -35.55 36.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -82.03 131.73 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.726 0.298 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.54 -179.981 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptm . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.722 0.296 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 58.8 100.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.044 179.837 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.18 -35.5 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 pt? -144.09 152.22 40.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.722 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 60.55 104.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -128.44 147.47 17.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 59.49 96.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.871 0.367 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -85.78 143.46 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.178 -179.671 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.01 -34.29 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.741 179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.2 119.81 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.1 mt -112.14 -39.74 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.828 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -129.22 -178.24 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -69.48 -173.84 0.62 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 -179.722 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.2 m -60.41 108.52 0.82 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 40.8 t -121.11 -71.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.74 179.915 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.45 -4.71 41.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.753 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.3 t -55.84 -75.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.32 -24.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.493 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.4 -57.92 5.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 111.679 -179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 15' ' ' SER . 33.6 tt0 -71.68 -45.66 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 80.4 t80 -51.57 -45.96 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.69 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -61.57 -45.66 93.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.706 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.18 -41.27 68.36 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.768 179.505 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.66 -40.69 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 21' ' ' PHE . 85.2 t -55.76 -39.59 56.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.537 179.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.69 -45.88 86.65 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.987 179.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -65.07 -27.04 68.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.667 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 81' ' ' LEU . 75.8 mt -72.14 -48.54 42.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.22 -36.72 73.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.748 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.81 -32.99 73.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.754 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.4 mt -77.09 -37.06 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.87 -34.28 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.5 mtm -94.26 14.37 20.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 -179.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.62 138.25 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.965 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.77 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.201 -179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.62 -22.21 63.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -77.37 -37.39 52.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.015 -179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -66.31 -45.56 79.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.061 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.56 -43.94 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 -179.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.55 -51.99 59.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.581 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -55.23 -53.67 53.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.561 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -63.69 -34.62 78.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.414 -179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.99 -49.75 72.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.462 -179.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 38.7 m-85 -76.06 -36.43 59.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtp -57.4 -26.47 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.612 179.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.56 -30.77 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -91.49 -43.24 9.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.282 179.931 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -60.61 -51.79 67.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.637 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -19.33 9.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.438 -179.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.3 mt -81.43 -46.52 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.491 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.819 179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -72.52 88.37 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' HH12 ' A' ' 129' ' ' ARG . 44.0 mt-10 -103.41 143.84 32.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -72.44 93.47 1.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -146.34 174.96 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -102.69 -8.72 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.31 137.95 47.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 -179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -96.95 116.65 29.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.605 ' HB3' HG22 ' A' ' 61' ' ' ILE . 70.9 mmtt -111.8 138.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.281 -179.858 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.0 mt -80.34 -8.51 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.696 179.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.605 HG22 ' HB3' ' A' ' 59' ' ' LYS . 10.4 tp -64.79 -13.06 14.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.326 -179.645 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -72.95 -20.84 60.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.374 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.675 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 90.9 m -75.13 -52.24 3.22 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.284 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.23 -42.61 27.82 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.017 1.811 . . . . 0.0 111.795 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.56 -46.46 96.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-O 120.941 0.401 . . . . 0.0 110.747 179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.37 -40.67 82.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.647 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -63.05 -32.23 73.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -67.18 -37.94 84.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.467 ' CE2' HG21 ' A' ' 73' ' ' VAL . 47.3 t80 -69.29 -38.85 78.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.556 179.601 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.57 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -73.85 -29.09 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.579 -179.918 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.2 p -86.2 -33.27 20.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.611 -179.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -89.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.133 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG21 ' CE2' ' A' ' 69' ' ' TYR . 37.4 t -66.73 -59.66 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -177.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 31.5 tt0 -51.97 -39.77 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 111.343 -178.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -77.19 -24.37 51.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.04 -47.39 83.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.928 0.394 . . . . 0.0 110.434 179.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -71.33 -42.66 74.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 179.755 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 36.0 tt0 -57.4 -50.62 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.703 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -44.43 96.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.376 -179.66 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -58.42 -35.13 71.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.043 -179.796 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 HD11 HD21 ' A' ' 28' ' ' LEU . 79.0 mt -77.89 -34.11 51.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 78' ' ' GLU . 95.8 mt -67.71 -27.78 67.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.225 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.42 -26.24 68.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 6.7 tpm_? -106.64 -25.07 11.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.1 mt -137.55 89.03 16.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.72 -5.34 11.58 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.629 2.219 . . . . 0.0 112.599 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -109.51 15.19 23.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.69 145.91 30.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.231 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.21 98.26 5.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.514 179.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.5 tpt -63.53 -25.55 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.009 -179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.35 -53.79 21.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.85 -27.68 64.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -69.97 -46.14 65.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 -179.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 p -64.45 -42.1 96.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.4 m -59.43 -40.98 88.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.6 m -76.33 -33.78 58.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.382 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -60.66 -36.4 78.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 -179.642 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.73 -29.74 12.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.337 -179.458 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -99.61 -33.69 10.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.038 0.447 . . . . 0.0 110.677 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 97' ' ' LEU . 7.8 m170 -70.82 -2.93 16.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.079 -179.652 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -66.25 -19.14 65.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.545 179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -75.07 -15.05 60.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -106.77 -57.49 2.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.752 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.0 p -66.56 159.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.831 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.02 109.44 0.37 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.192 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.46 78.09 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -64.45 -37.43 87.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.58 0.229 . . . . 0.0 111.613 -179.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.3 mt -74.51 -49.64 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.165 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -64.7 -28.87 69.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.095 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -48.26 -29.82 4.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.1 ttp -72.3 -51.07 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.179 0.514 . . . . 0.0 109.978 179.047 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 mt -67.25 -23.12 65.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.712 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 115' ' ' PHE . 63.3 tp -51.16 -27.38 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.887 -179.672 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.7 p -61.12 2.39 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.991 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.6 m-85 -64.43 -29.41 70.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.801 0.334 . . . . 0.0 110.603 179.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 68.2 p -140.28 -29.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.377 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -71.57 86.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.909 0.385 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.16 -28.7 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.296 -179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.77 -38.96 92.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.65 -31.15 57.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -63.78 -54.22 38.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.654 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.06 -44.62 91.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.14 -31.88 71.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.37 -47.56 72.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.967 -179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -66.59 -48.09 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.259 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 mp -56.24 -31.09 63.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.805 179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -69.04 -47.93 64.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.54 179.638 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -59.95 -40.42 88.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.487 HH12 ' HG2' ' A' ' 53' ' ' GLU . 72.2 ttt180 -71.08 -31.86 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.7 179.808 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.26 70.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -70.79 -20.47 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -69.5 -12.82 61.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 -179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -87.04 -21.84 25.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.99 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -65.54 -68.21 1.74 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.444 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 59.34 96.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.533 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -127.44 -169.77 2.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -65.42 0.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.954 179.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 tp -108.6 -73.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.28 -25.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.19 -141.09 6.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.376 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -133.87 164.86 26.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.76 0.314 . . . . 0.0 110.657 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.4 t -136.83 170.25 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 58.1 -166.56 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.98 -169.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.269 179.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.5 mt -91.24 168.39 11.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.788 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -148.28 105.68 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -142.51 -5.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.651 179.838 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -123.72 -0.22 8.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . 81.1 p -91.19 -20.51 21.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -57.99 -20.18 36.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -123.98 15.8 9.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -138.96 -86.27 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.207 -179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' A' ' 15' ' ' SER . . . -68.57 -57.26 6.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.611 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 38.5 tt0 -59.0 -41.43 87.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.044 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -57.24 -55.29 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.524 ' HA ' HG12 ' A' ' 25' ' ' VAL . 15.1 t70 -60.87 -28.72 69.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -50.36 66.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.434 179.5 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -64.73 -53.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.01 179.684 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 22' ' ' ASP . 4.1 p -54.34 -33.17 25.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.96 -45.27 92.9 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.96 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -60.43 -36.15 77.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.724 0.297 . . . . 0.0 110.399 179.51 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 81' ' ' LEU . 93.8 mt -60.4 -47.32 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.69 -40.8 80.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 179.854 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.44 -33.47 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.563 179.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -74.09 -40.07 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.906 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -35.4 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.278 -179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -95.33 3.63 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.146 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.33 134.39 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -54.83 -49.64 70.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.671 -179.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.4 -31.18 67.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.202 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -76.24 -35.18 59.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.052 -179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -66.83 -45.08 79.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 -179.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 tp -69.28 -46.79 66.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.28 -179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.17 -48.61 80.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.479 -179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -56.41 -53.69 54.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.635 -179.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -65.74 -32.39 73.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.684 0.278 . . . . 0.0 111.312 -179.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -59.5 -48.15 82.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.986 -179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -77.13 -40.17 46.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.179 -179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 82.9 mtp -56.63 -25.33 52.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.914 179.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.38 -30.96 71.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -87.42 -42.03 13.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.264 -180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -59.22 -49.33 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.841 -179.548 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -16.95 64.6 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.19 -52.03 9.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.56 -38.06 80.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.063 0.459 . . . . 0.0 110.7 179.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -68.42 91.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.955 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.426 ' HG3' HG23 ' A' ' 55' ' ' THR . 11.8 pt-20 -104.56 139.01 40.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.33 105.39 3.48 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.777 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 HG23 ' HG3' ' A' ' 53' ' ' GLU . 74.2 p -129.02 172.58 11.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.66 3.86 50.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -115.31 156.15 26.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.244 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -101.61 106.03 17.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 7.3 mtpm? -85.71 147.41 26.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.22 -8.7 59.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 tp -66.45 -15.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.555 -179.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -70.1 -19.07 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.346 -179.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 49.7 m -74.21 -52.98 3.94 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.566 -179.837 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 63' ' ' THR . 29.7 Cg_endo -64.04 -43.37 15.62 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.944 1.763 . . . . 0.0 111.828 179.186 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.55 -47.65 84.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 179.681 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -56.31 -44.48 79.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.514 179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -58.51 -34.04 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -67.58 -38.38 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.46 ' CE1' HG21 ' A' ' 73' ' ' VAL . 47.0 t80 -67.3 -36.81 82.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.794 179.827 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.8 mm -74.01 -29.31 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.208 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 m -86.01 -28.39 24.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.269 -179.807 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 72' ' ' LEU . 2.2 tm? -89.95 -63.05 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.834 -179.574 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 69' ' ' TYR . 38.9 t -73.36 -61.5 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -177.815 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 34.2 tt0 -52.26 -40.88 62.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.662 0.268 . . . . 0.0 111.454 -178.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -72.13 -30.79 65.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.693 179.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 68.7 t80 -61.64 -43.35 99.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.745 179.497 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.84 -48.37 80.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.34 -50.22 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.444 -179.687 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 13.4 mm-40 -57.87 -51.91 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.785 -179.468 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.98 -30.16 65.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.68 -179.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 28' ' ' LEU . 90.4 mt -77.89 -36.32 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.773 0.321 . . . . 0.0 110.941 179.778 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.31 -23.38 64.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.935 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 15.4 mm100 -56.67 -22.36 34.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.216 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -123.97 -24.81 4.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.822 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -132.23 84.09 53.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.964 -179.684 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.06 -7.36 20.63 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.534 2.156 . . . . 0.0 112.434 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -112.42 16.86 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.549 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -65.93 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.476 -179.654 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.506 HD22 ' HB3' ' A' ' 92' ' ' ALA . 0.9 OUTLIER -114.21 90.49 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.43 179.445 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.44 -29.89 70.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.224 -179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.61 -43.83 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.44 -179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.506 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -72.5 -32.74 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.568 -179.455 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 72.1 t80 -69.63 -44.06 71.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.7 p -62.57 -47.15 85.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.493 -179.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.5 p -56.19 -50.63 70.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.061 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -67.16 -29.49 69.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -62.09 -37.22 84.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -51.38 -46.47 62.79 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.195 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -77.27 -39.79 46.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.417 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -68.06 -3.68 11.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.057 -179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.87 -20.6 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -75.5 -24.36 56.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -98.38 -59.62 1.71 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.01 155.75 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.15 107.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.08 -31.74 81.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.291 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -59.94 -36.87 77.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.669 0.271 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.2 mt -73.47 -48.81 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 15.7 t80 -62.68 -29.02 70.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -49.62 -33.47 15.43 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.779 0.323 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -71.42 -44.12 65.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.122 0.487 . . . . 0.0 110.018 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 87.8 mt -66.17 -23.47 66.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.08 179.859 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 115' ' ' PHE . 45.7 mt -49.99 -26.75 4.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.761 -179.832 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 68.5 p -56.42 -1.1 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.971 179.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' H ' ' C ' ' A' ' 113' ' ' LEU . 9.2 m-85 -64.41 -24.92 67.8 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.646 0.26 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -161.06 -17.38 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.472 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 82.21 1.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.982 0.42 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -55.28 -34.15 63.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.218 -179.719 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.34 -43.24 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.67 56.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 -179.743 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -67.84 -54.49 18.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -179.666 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -67.28 -37.18 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.23 -47.55 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.296 -179.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -71.91 -39.39 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.537 -179.652 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.08 -42.24 97.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.75 179.76 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.11 -41.61 85.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 179.691 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.32 -43.45 88.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -65.61 -34.09 77.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.554 179.586 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.1 83.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -62.35 -29.69 70.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.16 -37.81 86.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.791 179.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -97.37 3.25 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 179.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -73.76 -27.4 67.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.727 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.31 102.23 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.762 0.315 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.523 179.951 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.09 -63.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.779 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -136.09 140.43 43.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.884 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -74.33 -11.24 60.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.45 14.2 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.96 99.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 57.71 63.26 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.917 0.389 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -152.43 119.27 5.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -77.91 -52.66 8.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.785 179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.88 129.05 10.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -132.08 150.63 52.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 56.43 -171.27 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 58.16 96.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.5 t -134.26 -41.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.3 p -76.56 -30.44 57.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.088 -179.853 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -12.26 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.4 t -129.76 22.87 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.035 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -157.65 -86.96 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 111.74 -179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -57.05 7.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.067 -179.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' HG23 ' A' ' 24' ' ' VAL . 11.5 tp10 -60.35 -41.09 92.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.161 -179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.86 -54.04 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.64 -37.17 72.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.39 86.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.686 179.795 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 20' ' ' GLU . 84.9 t -57.18 -41.4 77.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.967 179.639 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.1 t -56.47 -45.95 82.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.12 -46.4 93.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.325 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -60.54 -40.39 91.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.714 179.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.02 -42.27 89.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.8 -47.4 84.91 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.53 -32.69 67.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.774 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -76.51 -38.99 32.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.26 -30.03 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 58.7 mtt -107.46 12.46 27.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.117 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.31 140.68 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.28 -49.26 77.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -59.67 -25.85 65.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.922 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.59 -47.8 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.009 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -63.28 -35.3 79.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -68.36 -49.18 62.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.548 -179.895 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 tt -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.93 -52.62 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.292 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -66.33 -34.8 78.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.434 -179.567 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -64.89 -47.44 77.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -78.4 -48.63 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.483 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 70.9 mtp -57.62 -26.15 61.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.55 0.214 . . . . 0.0 111.327 -179.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.32 -31.37 65.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -96.79 -38.44 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.483 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.3 m-85 -53.86 -52.53 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.629 -179.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -19.03 61.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.347 -179.168 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.4 -42.18 20.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.786 0.327 . . . . 0.0 111.067 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.64 -31.24 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.731 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.6 83.32 7.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -90.24 139.37 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.765 179.657 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.45 92.49 0.82 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.5 p -134.11 168.56 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.221 -179.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.7 -16.33 27.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -98.36 130.34 45.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -92.01 132.06 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -98.82 163.22 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.964 179.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.7 tp -79.96 -15.99 56.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.6 tp -66.0 -13.74 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.082 0.467 . . . . 0.0 111.081 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -70.44 -23.54 62.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.662 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.663 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 55.4 m -74.72 -52.56 3.54 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.435 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.663 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.7 Cg_exo -59.38 -46.18 22.73 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.003 1.802 . . . . 0.0 111.907 179.258 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.8 mt -60.39 -43.43 93.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.7 t80 -60.5 -44.56 95.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.828 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -60.29 -32.5 71.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.86 -37.68 79.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -70.21 -40.91 74.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 38.9 mm -73.75 -28.78 24.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.527 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.2 m -85.88 -33.77 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -179.667 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 tp -89.6 -61.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.85 -58.38 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.062 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.567 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.4 tt0 -51.95 -43.15 63.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.72 0.295 . . . . 0.0 110.967 -178.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -73.97 -25.03 59.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -62.59 -46.79 86.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.233 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.23 -39.69 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.953 179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -61.4 -50.75 71.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.426 -179.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.35 -47.72 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -58.46 -38.89 78.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.273 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.77 -33.09 70.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.799 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.42 -26.61 65.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -59.56 -23.76 63.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -115.92 -19.86 10.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.097 -179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.27 93.25 19.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.148 -179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.22 -2.2 10.12 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.502 2.135 . . . . 0.0 112.424 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.72 15.36 18.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -84.61 136.76 33.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.851 HD22 ' H ' ' A' ' 92' ' ' ALA . 4.5 t30 -125.93 102.64 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.07 179.522 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -47.75 66.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.909 -178.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.417 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -52.21 -58.08 7.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.979 0.419 . . . . 0.0 111.747 -179.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.851 ' H ' HD22 ' A' ' 89' ' ' ASN . . . -63.42 -29.19 70.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.54 -179.718 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -64.73 -48.44 74.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.115 -179.709 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.1 p -63.8 -39.75 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.447 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.8 m -56.59 -48.99 76.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.2 m -73.05 -29.58 63.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.0 tt -60.49 -37.19 80.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -51.57 -39.14 57.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.09 -179.599 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.11 -40.66 23.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.014 0.435 . . . . 0.0 110.141 179.469 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -71.44 -1.23 12.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -65.81 -21.12 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.185 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.87 -6.41 57.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -114.36 -60.89 1.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.94 155.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.067 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.59 107.57 0.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.06 -30.59 67.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.932 -0.652 . . . . 0.0 112.582 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -62.39 -44.51 96.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.446 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.4 -50.03 66.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.371 -179.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -65.93 -28.98 69.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.171 -179.798 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -48.4 -28.95 3.55 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.759 0.314 . . . . 0.0 110.994 -179.371 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 48.7 ttp -72.22 -51.9 18.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.175 0.512 . . . . 0.0 109.895 178.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.02 -23.08 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.701 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.5 tp -51.02 -27.19 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.898 -179.498 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.8 p -58.88 -2.14 0.21 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.836 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.5 -26.91 68.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 110.596 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 82.0 p -133.69 -39.15 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.505 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.1 92.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.102 -179.794 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -61.09 -32.74 72.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.43 -35.93 80.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.06 -33.82 59.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -62.82 -54.59 36.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.049 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.11 -49.66 73.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.993 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.61 -28.64 67.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.028 -179.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -66.24 -47.36 74.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.844 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -65.82 -43.52 88.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.379 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.21 -46.06 83.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.727 0.299 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.99 -38.69 92.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.978 0.418 . . . . 0.0 110.207 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -59.92 -38.27 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.94 -30.51 67.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.218 179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -35.75 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.814 179.617 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.05 -18.83 62.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -68.71 -25.7 64.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.624 179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -79.7 -1.09 36.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -71.15 -72.9 0.85 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.596 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -73.93 123.82 25.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.496 -179.884 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.7 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -97.03 164.73 12.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.96 168.18 0.11 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.39 179.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 56.87 -168.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.01 -45.16 64.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.794 -179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.8 163.66 19.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -110.39 2.74 19.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -75.8 -20.55 58.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -90.17 131.65 35.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.836 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.5 15.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt 58.54 17.7 5.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.99 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -158.38 149.68 20.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.692 -179.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -156.96 137.63 13.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.8 p -171.54 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.4 p -157.21 -20.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.98 -60.26 2.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.226 -179.893 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.0 m -74.85 -1.2 21.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.605 179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -92.39 167.46 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.029 -179.818 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.72 -22.82 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.623 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.28 -50.2 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.91 -50.38 66.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 0.0 110.738 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.65 -28.48 65.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.54 24.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HD2' ' A' ' 27' ' ' TYR . 42.5 t -55.2 -41.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.2 t -60.4 -36.93 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.611 179.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.38 93.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.102 179.55 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 24' ' ' VAL . 62.5 m-85 -60.46 -40.02 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 0.0 110.479 179.665 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -57.67 -45.2 85.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.31 -40.73 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.8 -32.85 74.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.036 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -74.01 -39.16 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.38 -38.89 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.355 -179.753 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 70.0 mtm -89.4 8.76 29.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.292 -179.752 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -75.57 133.42 40.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.94 -50.0 75.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.318 -179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.74 -22.03 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -78.3 -45.76 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.11 -35.55 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.54 -53.77 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.54 -37.44 83.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -60.95 -53.49 56.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.98 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.02 -32.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.335 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -59.74 -49.18 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.611 -179.536 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -78.09 -39.7 40.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.269 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.0 mmm -58.37 -24.68 60.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 179.85 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.06 -31.14 72.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.01 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -94.21 -44.71 7.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.887 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -53.95 -48.17 70.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.808 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -19.53 65.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -178.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.4 mt -76.29 -48.63 19.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.717 0.294 . . . . 0.0 111.065 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -61.96 -38.59 89.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -78.68 85.38 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.473 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -92.02 139.75 30.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.95 92.11 0.36 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -179.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.7 p -142.24 168.92 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.743 179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -93.48 -16.08 24.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.722 179.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.6 123.49 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -80.36 141.02 35.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -125.58 144.77 50.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.03 -8.6 59.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.0 tp -66.68 -11.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.65 -179.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -69.67 -23.05 63.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.385 -179.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 92.1 m -75.27 -52.43 3.06 Favored Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.725 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.2 Cg_endo -62.16 -41.66 33.91 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.136 1.891 . . . . 0.0 112.109 179.643 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.21 -45.86 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.986 179.819 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 70' ' ' ILE . 75.2 t80 -57.02 -46.03 82.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -56.63 -44.14 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.3 -33.61 73.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CE1' HG21 ' A' ' 73' ' ' VAL . 48.6 t80 -69.74 -35.15 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.71 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 37.1 mm -74.05 -29.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.664 -179.698 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.2 t -89.93 -25.97 20.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.342 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -90.83 -63.35 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.324 . . . . 0.0 111.828 -179.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 69' ' ' TYR . 48.0 t -74.16 -61.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.258 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.8 tt0 -53.55 -38.73 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.573 0.225 . . . . 0.0 111.319 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -69.74 -35.98 75.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.346 179.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -58.18 -47.44 83.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.587 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.51 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 179.579 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 44.1 tt0 -57.8 -50.86 71.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.062 -179.664 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 46.0 mt-10 -61.53 -47.76 84.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.529 -179.684 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.56 -34.19 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.18 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.2 mt -78.17 -38.38 43.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 111.208 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.57 -23.14 64.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.51 -178.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 12.5 mm100 -53.54 -19.97 4.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.443 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -118.65 -27.44 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.978 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.1 96.29 48.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.642 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 -8.47 19.39 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.432 2.088 . . . . 0.0 112.656 -179.828 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.18 16.86 19.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -64.35 147.79 51.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.402 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -129.24 93.09 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.38 -18.31 64.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.399 -179.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.09 -57.82 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 111.061 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.0 -25.91 63.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -71.06 -53.74 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.216 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 32.4 p -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.405 -179.787 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.6 p -55.27 -50.2 70.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.869 0.366 . . . . 0.0 111.205 179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -65.5 -31.87 73.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.829 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -36.94 83.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 94' ' ' THR . 79.8 mt-30 -51.56 -46.41 63.42 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.473 -179.428 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -77.02 -41.13 43.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.097 0.475 . . . . 0.0 110.417 179.605 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -71.34 0.49 7.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.8 -21.34 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.86 178.863 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -74.84 -24.93 58.68 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.656 179.616 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.44 -62.18 1.34 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.956 179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.8 p -57.68 161.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.714 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.9 107.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.661 179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.94 -30.94 74.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.638 -179.727 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.72 -36.49 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.617 0.246 . . . . 0.0 111.24 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.4 -49.49 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.227 -179.65 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.72 -28.7 69.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -48.46 -29.94 4.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.79 0.329 . . . . 0.0 110.828 -179.577 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -72.51 -50.1 28.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.875 179.021 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.12 -22.87 66.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.682 179.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 115' ' ' PHE . 27.8 tp -50.28 -27.28 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.004 -179.481 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.6 p -61.07 2.11 0.14 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.835 179.621 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' H ' ' C ' ' A' ' 113' ' ' LEU . 5.5 m-85 -64.62 -30.82 71.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.734 0.302 . . . . 0.0 110.899 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 67.8 p -137.59 -27.57 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.54 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.56 88.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.886 0.374 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.44 -34.94 74.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.139 -179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.84 -34.08 75.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.53 -33.09 58.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -60.65 -54.74 41.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.45 -43.99 88.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.42 -33.61 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.1 ttp -63.34 -47.18 83.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.74 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.33 -50.66 72.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.693 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.64 -35.46 70.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.704 0.288 . . . . 0.0 111.207 -179.714 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.77 -44.92 69.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -58.71 -38.54 78.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -70.39 -37.04 74.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.787 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.84 -32.51 72.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -72.7 -28.94 62.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.64 179.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 132' ' ' LYS . 3.3 mmmp? -69.54 -24.62 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.026 -179.861 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -89.1 -1.45 58.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.67 -54.97 29.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.774 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -77.13 160.39 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.577 179.948 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.752 0.31 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.5 t70 60.14 93.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 -174.42 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.331 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 41.8 tp -155.04 -74.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 179.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.572 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 44.1 mt-10 -122.12 158.14 29.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.706 179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.87 133.67 0.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.597 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -100.65 -3.89 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 t 61.86 97.25 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -153.26 -71.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.58 12.78 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.297 -179.895 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.94 115.73 3.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -152.6 110.21 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -134.97 -177.52 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -118.13 154.21 32.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -152.42 -27.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 96' ' ' THR . . . -66.44 -27.99 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 77.8 p -111.0 12.68 22.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.703 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.66 -170.14 1.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.0 -25.5 65.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.625 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.14 -42.87 91.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.023 -179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -55.06 -48.36 73.58 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.712 0.291 . . . . 0.0 110.807 179.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -58.13 -38.93 77.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -43.12 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.19 -42.25 89.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 179.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.5 t -55.46 -40.33 57.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 179.379 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.39 95.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.094 179.491 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -62.93 -30.28 71.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.864 0.364 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.37 -48.27 70.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.98 -33.51 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.85 -44.27 85.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -66.89 -43.01 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.286 -179.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.63 -30.19 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.188 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.4 mtp -99.8 15.78 25.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -83.1 139.07 33.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.658 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.73 -51.19 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.214 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.0 -28.0 64.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.913 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -77.73 -30.77 51.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -67.33 -47.44 70.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.02 -43.36 74.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.26 -179.692 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.12 -44.05 96.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.374 -179.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -61.24 -52.45 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.228 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -65.94 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.586 -179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.44 -49.41 77.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.634 -179.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -79.03 -38.95 35.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.271 -179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.5 mmm -57.88 -24.51 57.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.747 0.308 . . . . 0.0 110.956 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.22 -30.94 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -87.89 -42.05 12.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.975 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.31 -53.78 53.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.968 -179.401 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -57.21 -17.52 11.81 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.586 0.231 . . . . 0.0 111.503 -178.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.8 mt -81.39 -47.56 13.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.847 0.355 . . . . 0.0 110.914 179.752 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -71.02 -21.53 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -84.4 81.07 8.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.422 . . . . 0.0 110.653 179.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 55' ' ' THR . 41.3 tt0 -94.16 138.76 31.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -78.84 97.61 6.02 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 53' ' ' GLU . 70.1 p -142.83 156.74 45.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.47 -6.72 52.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -95.84 129.75 42.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.646 179.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -106.63 124.53 49.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.191 -179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -104.54 162.78 12.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.5 mm? -80.28 -8.87 59.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.395 -179.705 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.509 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -61.53 -12.84 7.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.576 -179.578 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.65 -24.97 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.55 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.637 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 60.3 m -74.07 -52.33 4.4 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.637 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 31.2 Cg_exo -59.79 -45.95 22.39 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.975 1.783 . . . . 0.0 111.951 179.438 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.89 -46.64 93.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.036 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -58.44 -40.96 84.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.767 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -60.49 -36.82 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.646 179.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.59 -36.18 82.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.784 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' CE1' HG21 ' A' ' 73' ' ' VAL . 68.1 t80 -67.89 -39.79 83.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.515 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 44.4 mm -72.09 -29.12 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.69 -179.565 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 47.4 t -88.62 -28.11 20.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.604 0.24 . . . . 0.0 111.551 -179.556 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.3 tm? -90.41 -62.93 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 69' ' ' TYR . 44.2 t -73.5 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.3 tt0 -52.67 -42.88 65.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 111.521 -178.846 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 71' ' ' SER . 23.7 tptm -69.2 -33.18 72.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.811 -179.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.11 -49.42 77.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -63.82 -42.76 96.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -59.61 -44.16 93.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.533 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.82 -46.77 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.67 -179.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.609 ' HA ' HE21 ' A' ' 83' ' ' GLN . 15.7 mm100 -58.33 -32.82 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.173 -179.518 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.89 -35.24 51.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.434 -179.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.13 -25.75 65.45 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.469 -179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.609 HE21 ' HA ' ' A' ' 80' ' ' GLN . 40.7 mt-30 -58.88 -18.83 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.425 -179.682 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -123.26 -29.59 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 20.4 mt -122.1 90.86 48.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.66 -7.7 21.24 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.492 2.128 . . . . 0.0 112.465 -179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -109.55 14.2 23.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.523 179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 67.2 t80 -72.57 144.88 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 -179.501 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.59 99.01 5.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.2 tpt -61.31 -22.7 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.314 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.55 -57.56 3.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.26 -179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.55 65.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.359 -179.873 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -68.94 -54.61 14.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.314 -179.729 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.5 p -60.37 -45.61 92.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.538 -179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.497 ' HA ' HE21 ' A' ' 98' ' ' GLN . 34.7 p -56.61 -46.42 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.56 -179.702 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.534 HG21 ' HB1' ' A' ' 16' ' ' ALA . 65.4 m -74.21 -29.72 61.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.321 -179.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.63 -37.04 82.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.634 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 95' ' ' THR . 47.7 mt-30 -51.16 -34.68 32.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.384 -179.418 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -84.13 -41.07 17.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.176 0.512 . . . . 0.0 110.283 179.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -71.51 -2.21 16.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -64.88 -23.02 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.234 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.91 -11.95 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.653 179.75 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -105.76 -59.11 1.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 m -63.35 178.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.28 107.58 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.91 -30.8 78.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.46 -179.909 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -67.72 -33.85 75.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 111.437 -179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 38.2 mm -73.98 -50.21 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 111.272 -179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -65.91 -29.27 69.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.052 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -48.2 -29.44 3.74 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.965 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.6 ttp -72.45 -51.93 18.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.163 0.506 . . . . 0.0 109.816 178.893 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -66.4 -22.48 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.653 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 115' ' ' PHE . 37.9 tp -50.7 -27.41 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.118 -179.441 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 77.0 p -63.9 4.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.965 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.2 m-85 -64.83 -34.38 78.23 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.8 p -134.02 -20.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.372 -179.836 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 80.25 6.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.63 -27.45 66.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.98 -41.84 98.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.618 179.849 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.28 -27.12 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -64.77 -54.91 23.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.565 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -64.0 -42.43 97.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.311 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.13 -29.01 69.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -66.2 -47.89 72.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.12 -41.85 94.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.333 179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.6 -37.15 86.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.155 -179.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.04 -39.83 68.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.384 . . . . 0.0 110.879 179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -62.02 -54.1 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 179.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -61.06 -36.04 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.998 -179.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.15 89.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.416 -179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.39 -22.88 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.066 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -65.44 -38.27 89.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.116 -179.778 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -88.1 -3.38 58.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -70.48 -30.57 68.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 64.72 -79.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.68 0.276 . . . . 0.0 111.318 179.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.445 -179.843 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -134.39 5.96 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.58 112.04 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -125.64 -28.92 3.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.93 118.79 24.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.6 -43.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.396 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.73 137.98 32.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.778 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.5 m -152.06 96.46 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -132.96 -12.98 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.53 -18.36 23.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.014 179.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 11' ' ' LEU . 6.6 mp -108.49 -57.66 2.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -99.5 124.95 45.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -95.51 -18.02 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m 59.12 15.76 4.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.6 m -151.14 -34.86 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 -51.54 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.315 -179.823 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -92.87 23.91 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.68 -177.6 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.24 67.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.243 179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.39 -44.84 80.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.89 -51.22 70.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.795 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -56.12 -34.84 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.71 -51.19 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.78 -44.02 89.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 28' ' ' LEU . 78.5 t -54.28 -41.37 52.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.77 -45.79 95.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.248 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -64.67 -26.71 68.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.693 0.283 . . . . 0.0 110.798 179.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 25' ' ' VAL . 92.5 mt -69.11 -47.85 64.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.878 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.62 -38.55 85.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.49 -32.73 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.6 mt -80.5 -42.93 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.58 -30.1 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.346 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 84.0 mtp -99.48 3.48 45.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.197 -179.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.89 133.35 44.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -58.33 -46.84 85.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.334 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -62.06 -26.75 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.774 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -77.68 -41.55 37.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -68.78 -37.22 79.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.862 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.86 -47.48 68.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.782 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.44 -49.7 65.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.436 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -56.13 -53.97 50.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.371 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.17 -38.88 92.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.304 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.29 -48.73 70.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.481 -179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -75.53 -40.58 56.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.52 -179.529 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.3 mtp -56.57 -24.92 50.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.683 0.277 . . . . 0.0 111.404 -179.752 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -59.2 -30.96 68.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -93.91 -38.76 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 -179.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -61.14 -51.42 69.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.959 -179.253 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -16.75 23.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.664 0.269 . . . . 0.0 111.409 -179.216 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.84 -48.36 11.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.806 0.336 . . . . 0.0 111.041 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.43 -35.92 78.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.005 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -75.2 88.19 2.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -88.53 139.4 30.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 96.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.6 p -139.89 -177.78 5.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -108.71 -27.32 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -87.14 135.23 33.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -86.46 159.3 19.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -133.11 163.2 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 111.041 -179.771 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.28 -15.84 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -63.31 -19.77 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.394 -179.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -71.79 -16.74 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 28.7 m -74.83 -52.82 3.31 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.297 -179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 35.3 Cg_endo -65.95 -38.94 20.89 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.018 1.812 . . . . 0.0 111.766 179.055 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.45 -44.09 97.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.642 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.63 -45.42 92.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.613 179.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -58.2 -35.03 71.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.98 -35.42 72.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.692 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.401 ' CE1' HG21 ' A' ' 73' ' ' VAL . 49.5 t80 -66.98 -34.15 77.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.636 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 41.6 mm -74.03 -45.19 49.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.184 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.1 m -67.58 -30.33 69.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.345 -179.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -90.21 -63.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG21 ' CE1' ' A' ' 69' ' ' TYR . 46.5 t -73.81 -60.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.207 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 1.4 tm-20 -51.79 -42.75 62.68 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.817 0.341 . . . . 0.0 111.33 -178.706 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -33.66 72.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.262 -179.508 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 82.1 t80 -64.15 -36.51 84.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.41 -47.38 59.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -66.39 -34.94 79.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.724 -179.417 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HG3' ' N ' ' A' ' 80' ' ' GLN . 7.6 pt-20 -70.61 -48.32 55.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.21 -179.24 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.532 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 16.1 mm100 -63.13 -29.14 70.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.016 -179.409 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.0 mt -77.87 -40.39 40.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.059 0.457 . . . . 0.0 111.063 -179.49 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.64 -23.02 63.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.435 -178.945 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -55.96 -18.85 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.906 179.578 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -119.39 -20.04 8.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 35.9 mt -129.47 98.12 23.53 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.002 -179.86 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.24 -10.48 20.84 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.326 2.018 . . . . 0.0 112.353 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -110.04 15.3 22.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.638 179.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.428 ' HB3' HD22 ' A' ' 82' ' ' LEU . 36.5 t80 -62.69 148.13 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.229 -179.606 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -131.03 80.64 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 179.519 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 23.4 ttt -68.31 -21.24 64.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.905 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.48 16.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.04 61.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.65 -46.92 65.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 p -65.64 -44.71 85.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.6 m -56.29 -43.1 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.282 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.5 m -76.1 -29.86 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.283 -179.821 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -35.5 80.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.331 -179.753 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -50.07 -40.41 45.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.882 -178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -99.53 -27.98 13.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.01 0.433 . . . . 0.0 110.73 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -71.02 -4.73 26.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.879 -179.564 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.0 -15.11 61.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.519 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.31 -9.88 59.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.497 179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.1 -62.53 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -61.49 161.24 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.783 179.741 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -52.33 107.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.043 179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.56 -30.88 75.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.23 -35.73 81.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 0.0 110.801 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.48 -50.2 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.988 -179.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 20.1 t80 -65.25 -28.71 69.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.733 179.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -49.02 -33.2 10.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.763 -179.782 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.61 -45.73 57.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 109.999 179.022 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 109' ' ' PHE . 97.0 mt -63.96 -22.49 66.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.188 179.922 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.5 mt -49.73 -27.41 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.274 -179.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.6 p -55.17 -4.34 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 113' ' ' LEU . 11.9 m-85 -64.6 -34.9 79.34 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.488 0.185 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.6 p -146.68 -28.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.675 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.68 85.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -57.67 -31.59 66.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -67.04 -40.49 87.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.647 179.764 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.32 -26.77 56.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -67.33 -54.45 20.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.419 ' O ' HD13 ' A' ' 126' ' ' LEU . 87.4 tttt -64.82 -45.2 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.47 -30.04 68.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.9 ttp -67.55 -47.21 70.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -66.91 -50.44 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.438 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 122' ' ' LYS . 11.1 mp -56.16 -37.35 69.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -69.14 -37.06 78.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.385 179.575 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -60.59 -45.56 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.75 179.828 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -67.09 -32.8 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.732 179.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.68 84.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.824 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -62.14 -30.52 71.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.761 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -69.55 -20.18 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -96.96 1.68 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.94 22.54 3.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.624 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -148.89 113.97 5.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.813 0.34 . . . . 0.0 111.02 179.917 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.498 179.794 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -99.75 -44.39 6.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.46 144.37 27.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pp -120.25 8.99 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.015 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -119.49 168.06 11.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.71 160.88 26.36 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.0 tt0 -139.43 149.4 44.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.658 0.266 . . . . 0.0 110.672 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -76.89 6.48 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.172 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.545 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 63.3 m-85 61.81 97.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.31 127.09 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.02 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.5 mt -127.43 105.69 8.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 t -145.98 151.57 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -69.72 144.19 52.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 16' ' ' ALA . 33.9 t -154.21 19.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.736 -179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 p 62.82 0.8 0.73 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.405 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -81.35 -32.73 32.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.033 0.444 . . . . 0.0 110.614 179.779 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.6 t -100.95 -4.62 27.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.955 179.233 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -87.18 171.93 10.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.629 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -23.34 59.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.559 -179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -58.2 -50.94 71.78 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.378 -179.473 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 70.4 t80 -62.05 -55.0 33.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.645 0.259 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -56.38 -29.79 61.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.234 -179.751 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.54 -48.4 72.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 -179.789 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -61.44 -39.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -57.68 -42.29 81.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.83 -47.96 86.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.223 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' O ' HG13 ' A' ' 31' ' ' ILE . 25.8 m-85 -59.91 -38.59 82.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -59.99 -46.37 89.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.857 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.64 -40.37 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.77 -36.92 84.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' TYR . 60.6 mt -73.74 -38.67 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.3 mt -66.06 -33.1 61.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.268 -179.848 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 87.7 mtp -88.83 2.26 53.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.277 -179.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -70.49 143.54 51.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -59.46 -48.22 82.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.25 -24.02 64.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.388 -179.745 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -74.65 -53.13 9.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.087 -179.792 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -59.62 -45.16 92.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.73 -51.27 70.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.22 -28.09 69.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -68.67 -53.71 20.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.514 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -71.94 -32.39 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.41 -49.25 78.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -179.597 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -76.92 -45.26 28.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.4 mtp -58.04 -24.86 60.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.91 -31.16 71.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.804 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -93.8 -45.72 7.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 6.9 m-85 -53.41 -50.65 64.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -23.69 65.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.566 -178.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.3 mt -74.39 -45.56 46.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.962 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -66.96 -38.81 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.203 -179.75 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -74.07 89.42 1.96 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 111.027 -179.864 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.04 141.03 31.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.71 93.46 0.11 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -133.74 -172.21 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.074 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.83 -9.97 7.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.63 147.17 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.871 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -94.25 135.56 35.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -122.39 149.33 43.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.5 mt -78.07 -9.6 59.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' PRO . 11.0 tp -70.16 -15.57 19.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 -179.722 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -71.34 -20.72 62.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.536 -179.625 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.682 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 86.1 m -75.78 -52.51 2.71 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.504 -179.755 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.3 Cg_exo -62.13 -42.95 26.36 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 122.066 1.844 . . . . 0.0 111.943 179.345 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.8 mt -61.25 -47.48 93.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -60.06 -50.59 73.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.739 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.01 -27.73 65.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.35 -43.85 59.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.433 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 67.0 t80 -60.47 -32.54 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.73 179.798 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 42.0 mm -73.91 -57.92 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.405 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 m -60.68 -27.09 67.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.691 -179.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.14 -63.95 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.651 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.8 t -74.91 -61.56 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -178.659 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.6 tt0 -52.81 -38.16 60.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.681 -178.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -73.16 -36.37 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.695 0.283 . . . . 0.0 110.776 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.9 -40.22 88.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.47 -49.61 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.0 tt0 -57.01 -50.32 73.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.32 -179.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.6 mm-40 -53.51 -54.39 37.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.887 -179.425 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.44 -31.26 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.45 -37.95 42.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 111.4 -179.29 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.57 -23.35 63.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.544 -178.604 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 88.3 mt-30 -57.39 -18.3 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.596 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -122.43 -14.2 7.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -133.8 93.14 21.27 Favored Pre-proline 0 CA--C 1.531 0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.06 -9.27 23.3 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.709 2.273 . . . . 0.0 112.633 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -113.79 17.11 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.28 148.08 37.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.467 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -126.4 84.9 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 179.307 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.8 tpt -66.15 -20.1 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -179.393 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.95 -57.49 3.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.77 -25.38 63.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.542 -179.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.19 -53.43 12.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.039 -179.683 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.4 p -57.41 -48.73 78.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.295 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.5 p -55.99 -52.04 65.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.9 m -64.92 -29.56 70.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.374 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.32 -37.19 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.778 -179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -51.7 -34.38 38.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.737 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -83.82 -41.52 17.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.093 0.473 . . . . 0.0 110.48 179.51 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -70.28 -2.4 13.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.81 -179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -60.81 -22.82 64.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.076 179.32 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.18 -27.65 62.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.43 179.513 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -93.81 -64.14 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.787 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 105' ' ' ALA . 8.3 p -59.64 162.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.763 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' N ' HG22 ' A' ' 104' ' ' VAL . . . -54.1 107.45 0.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.971 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.02 -30.85 74.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.533 -179.77 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.36 -40.36 95.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.704 0.288 . . . . 0.0 111.185 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 85.3 mt -72.39 -49.57 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.372 -179.565 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -64.68 -28.87 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.009 -179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -48.43 -31.19 5.9 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.624 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -72.42 -49.31 34.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.116 0.484 . . . . 0.0 109.865 179.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.39 -23.55 66.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.393 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 115' ' ' PHE . 47.2 tp -51.05 -27.34 7.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.167 -179.384 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.1 p -60.98 3.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.075 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.46 -31.03 72.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.575 0.226 . . . . 0.0 110.927 179.759 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.9 t -145.16 -25.13 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.627 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -75.54 92.64 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 0.0 110.945 -179.676 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -58.61 -41.14 85.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.965 -179.701 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.8 tp -54.94 -36.21 65.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.31 -33.39 59.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.42 -179.65 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -63.59 -54.53 34.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 -179.743 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -64.32 -51.28 64.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 -179.748 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.57 -32.79 65.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.31 -47.75 80.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -62.86 -46.49 87.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.204 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.96 -29.42 70.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.59 -53.0 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.692 179.828 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -59.84 -38.14 81.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -66.12 -37.96 87.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.766 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.4 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.021 179.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -74.08 -18.28 60.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -66.11 -31.62 72.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -92.34 1.49 57.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.674 179.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -122.0 7.44 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -148.77 132.01 16.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 111.071 -179.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.488 179.938 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.7 mtt . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.22 151.0 20.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.53 14.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.0 mp 58.56 -171.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.81 104.73 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.8 158.09 34.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.428 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -87.21 111.94 21.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -127.39 -13.05 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -65.16 144.26 57.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.3 -25.38 14.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.15 152.31 21.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -88.9 178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -60.23 -76.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.5 p -170.97 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.6 t -170.33 -35.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.86 -21.31 42.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.401 -179.822 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 m -129.25 19.13 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -138.01 -88.56 0.25 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.329 -179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.82 7.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.39 -37.69 86.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.324 -179.605 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -61.77 -55.43 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.63 -31.58 64.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.826 179.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.87 -47.25 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.632 179.572 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.8 t -60.5 -38.58 78.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.786 179.762 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.93 -40.83 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.564 179.757 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.02 -46.97 92.37 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.049 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -62.72 -27.9 69.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.803 0.335 . . . . 0.0 110.507 179.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD21 HD11 ' A' ' 81' ' ' LEU . 54.5 mt -70.07 -47.52 61.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.678 179.645 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -55.77 -40.74 73.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.63 -32.57 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.733 179.65 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.92 -36.16 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.032 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' LEU . 84.8 mt -60.35 -32.94 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtm -106.61 14.31 27.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 22.8 t70 -72.62 134.18 45.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -55.08 -53.08 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 -179.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.64 -27.32 64.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.07 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -77.8 -36.75 49.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 26.5 mm-40 -65.65 -45.31 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' LEU . 2.6 tm? -69.28 -42.06 76.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.076 -179.662 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.42 -48.08 76.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.437 -179.614 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -66.35 -44.22 83.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.298 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.41 -35.84 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.355 -179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -62.84 -48.79 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.581 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -73.0 -45.53 57.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 81.7 mtp -59.27 -24.49 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.49 -31.07 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.776 179.747 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -97.73 -37.93 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -58.89 -49.13 78.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.438 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.53 -18.58 63.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.484 -179.21 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -76.96 -48.28 18.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.83 -31.88 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -78.25 86.81 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.038 179.776 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -107.15 144.81 33.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.836 179.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.49 95.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.4 p -133.5 -176.03 4.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.973 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -106.21 -31.67 8.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.168 -179.743 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -84.47 134.13 34.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -95.46 139.1 32.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -106.23 154.19 21.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.915 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -80.02 -11.15 59.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.681 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -67.83 -12.9 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -72.87 -19.51 61.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.231 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.664 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 31.2 m -76.12 -52.66 2.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.237 179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 36.5 Cg_exo -61.87 -42.43 31.21 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 121.932 1.755 . . . . 0.0 111.444 179.004 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.6 mt -59.72 -44.01 92.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.48 179.333 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -63.06 -37.67 88.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 179.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.87 -33.78 76.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -70.36 -37.79 74.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' CE1' HG21 ' A' ' 73' ' ' VAL . 58.5 t80 -67.72 -45.41 75.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.075 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 36.2 mm -69.84 -29.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.507 -179.692 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -81.42 -39.07 25.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.861 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tp -89.74 -62.21 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 69' ' ' TYR . 49.0 t -62.58 -61.16 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -177.791 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 38.6 tt0 -52.21 -44.58 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.715 0.293 . . . . 0.0 111.363 -178.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.04 -24.21 61.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.251 -179.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -64.04 -49.69 71.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.678 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.39 -44.68 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 82' ' ' LEU . 38.5 tt0 -60.3 -51.12 70.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.875 -179.193 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.0 mt-10 -60.77 -46.89 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.306 . . . . 0.0 111.613 -179.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.33 -32.27 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.969 -179.339 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD11 HD21 ' A' ' 28' ' ' LEU . 84.1 mt -78.49 -37.68 42.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.14 0.495 . . . . 0.0 111.233 -179.551 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -67.82 -23.36 65.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.569 -178.848 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 14.4 mm100 -52.77 -22.88 5.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.952 179.703 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -118.5 -26.14 6.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mt -116.49 95.18 45.11 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.59 -8.08 19.11 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.493 2.128 . . . . 0.0 112.846 -179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.84 15.54 18.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.784 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 82' ' ' LEU . 46.9 t80 -64.19 147.95 51.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -131.88 94.91 3.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.336 179.432 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -62.41 -24.07 67.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 -179.498 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.68 -57.92 4.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.508 -179.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.21 65.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.291 -179.713 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -68.82 -53.49 21.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 -179.812 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.2 p -60.22 -39.53 86.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.472 -179.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.6 m -60.93 -53.1 61.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.2 m -66.0 -28.95 69.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.2 tt -63.72 -49.26 73.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.019 -179.809 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -51.8 -31.13 26.01 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.817 -179.956 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -86.18 -38.66 17.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.114 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.35 -5.76 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.647 -179.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.437 ' HA ' HG12 ' A' ' 104' ' ' VAL . 59.5 mtpt -57.34 -20.75 30.92 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.714 179.308 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -69.09 -3.17 12.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -131.32 -59.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 101' ' ' LYS . 5.4 p -60.51 160.82 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.929 -179.799 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -63.88 107.13 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.009 0.433 . . . . 0.0 111.214 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.41 -30.72 77.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.066 179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.78 -32.74 74.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.554 0.216 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 105' ' ' ALA . 68.7 mt -73.42 -49.91 33.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -66.31 -28.86 69.01 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.48 -28.12 3.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.722 -179.744 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.46 -52.06 17.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.149 0.499 . . . . 0.0 110.004 178.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.39 -23.0 66.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.721 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 115' ' ' PHE . 51.7 tp -50.56 -27.15 6.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.905 -179.572 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 82.3 p -59.24 1.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.915 179.824 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.9 m-85 -64.45 -17.36 63.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.7 t -152.67 -26.81 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.475 -179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.74 87.53 1.71 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.95 0.405 . . . . 0.0 110.758 -179.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -59.73 -28.51 67.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.302 -179.684 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -64.55 -38.73 92.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.78 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -61.77 -54.62 39.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.711 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.99 -50.18 67.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.4 -28.83 63.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.0 ttp -67.58 -47.64 69.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -63.82 -44.76 92.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.265 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.09 -38.36 82.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 110.752 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -64.91 -40.31 94.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.98 -40.33 93.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.399 179.593 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -60.81 -43.83 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.523 179.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.73 73.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -75.55 -23.41 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.39 0.88 15.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 -179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.23 -11.37 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 122.27 -66.0 0.49 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.456 -179.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -165.15 146.13 7.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.592 -179.83 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.49 -12.01 35.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.07 -169.8 0.13 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.313 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 2.3 pp -63.3 167.58 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.66 -63.03 0.22 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.531 179.901 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.04 -151.49 18.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.95 167.66 21.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -103.55 -60.87 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -143.71 -61.7 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.771 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.26 101.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.7 mp -117.54 156.26 28.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.803 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -84.48 -1.75 56.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -85.73 126.72 34.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.4 p -120.71 139.52 52.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.786 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -111.77 -28.84 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 20' ' ' GLU . . . -62.67 -10.13 11.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.337 -179.854 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -126.1 18.4 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.081 -179.872 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -148.64 -88.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.357 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.77 -57.21 5.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.651 -179.593 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . 35.5 tt0 -58.4 -38.3 77.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.832 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -60.74 -51.44 69.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.68 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.36 -34.92 64.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.71 94.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.733 179.607 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.1 t -61.84 -40.08 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.641 179.672 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 82.2 t -57.74 -42.66 82.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.51 -42.63 99.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.748 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.6 -37.26 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.793 0.33 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.91 -45.29 94.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.645 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.73 -44.15 81.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -63.38 -32.72 74.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.85 -44.07 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.58 -35.3 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.353 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 69.9 mtm -92.45 5.32 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.65 134.28 42.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 179.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -57.19 -50.07 74.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.234 -179.582 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -56.92 -28.53 62.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.095 -179.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -75.24 -37.45 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.78 -42.3 90.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -68.98 -37.81 78.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.614 179.935 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 72' ' ' LEU . 43.1 tp -67.99 -38.93 83.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.48 -53.76 31.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -61.58 -32.4 72.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.185 -179.714 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -63.87 -46.24 85.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.459 -179.552 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -37.86 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.472 -179.113 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 85.7 mtp -62.19 -28.55 69.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.04 -31.0 68.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.424 -179.696 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -92.51 -53.45 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.532 -179.492 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -53.17 -44.99 68.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.136 -179.262 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -20.05 65.54 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 -179.131 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -81.64 -51.85 7.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.36 179.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.74 -38.84 92.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 -179.613 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' HD2' ' HG3' ' A' ' 122' ' ' LYS . 11.2 m-85 -67.31 92.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -100.4 148.98 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.08 83.98 0.52 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.909 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.5 p -123.61 153.82 40.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.09 -20.66 19.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.088 -179.779 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.53 147.58 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 -179.943 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.38 122.07 38.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -106.2 149.84 26.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.031 -179.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.56 -8.87 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.616 179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -66.08 -17.82 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.063 -179.733 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -70.44 -15.51 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.299 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.478 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 93.1 m -76.56 -53.04 2.07 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.386 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 63' ' ' THR . 34.7 Cg_endo -65.93 -37.23 27.53 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.875 1.717 . . . . 0.0 111.76 178.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.12 -47.36 92.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.751 179.536 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 70' ' ' ILE . 71.6 t80 -57.48 -46.8 83.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.771 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -57.92 -34.53 69.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.835 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -69.16 -39.72 78.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.587 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.81 -39.08 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.04 -179.883 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 32.1 mm -73.66 -28.98 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.323 -179.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 t -85.27 -28.25 25.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.497 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD11 HD11 ' A' ' 40' ' ' LEU . 3.1 tm? -91.25 -64.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.47 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.7 -61.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -178.087 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.2 tm-20 -52.36 -44.05 65.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.745 0.307 . . . . 0.0 111.085 -178.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -62.35 -41.65 98.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.592 179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -53.24 -45.87 68.93 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.252 179.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.9 mt -62.75 -43.04 98.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 120.903 0.382 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.05 -50.55 73.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.556 -179.493 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 44.6 mt-10 -58.23 -43.42 87.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.592 -179.357 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -58.08 -40.9 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.316 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.58 -31.04 52.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.617 -179.685 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -68.14 -25.07 65.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.494 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 54.2 mt-30 -60.15 -21.21 61.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.518 -179.789 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.89 -18.68 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 mt -134.7 88.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.51 -1.28 9.51 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.398 2.065 . . . . 0.0 112.379 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -113.85 16.38 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 179.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -77.32 140.6 40.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.106 -179.762 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -122.46 102.48 8.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.234 179.594 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -30.7 65.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.609 -179.249 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.31 -51.95 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.639 -179.436 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -25.84 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.556 -179.424 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -71.14 -51.16 26.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.133 -179.742 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 p -60.38 -45.51 93.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.476 -179.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.7 m -57.67 -47.85 81.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -70.88 -29.65 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.24 179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.4 tt -62.47 -37.01 84.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -50.99 -35.46 33.95 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -82.26 -40.88 20.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.204 179.301 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -70.58 -2.54 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.754 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -65.95 -18.61 65.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.529 179.726 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -76.82 -12.99 60.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.45 -61.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.44 158.25 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.522 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -56.95 107.55 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.6 -30.45 74.69 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.195 179.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.83 -41.5 95.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.564 0.221 . . . . 0.0 111.221 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 105' ' ' ALA . 82.4 mt -66.12 -49.96 72.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.103 -179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -66.54 -28.93 68.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.618 179.568 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -48.47 -28.21 3.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.818 -179.566 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.9 ttp -72.2 -52.2 17.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.166 0.508 . . . . 0.0 109.76 178.863 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.74 -23.01 66.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.729 179.694 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 115' ' ' PHE . 49.9 tp -50.54 -27.47 6.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.173 -179.375 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 69.5 p -58.33 -3.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.791 179.755 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 113' ' ' LEU . 8.3 m-85 -64.62 -26.93 68.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.288 . . . . 0.0 110.931 179.69 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.1 p -129.31 -41.29 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.759 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.2 86.58 0.27 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.37 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.95 -30.68 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.74 -37.71 88.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.25 -28.58 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -65.45 -55.25 19.0 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.088 0.471 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' HG3' ' HD2' ' A' ' 52' ' ' PHE . 61.8 tttp -62.35 -48.59 79.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.328 179.717 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.23 -30.98 68.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.694 179.75 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.7 ttp -61.83 -48.14 81.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.833 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -65.98 -43.59 87.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 179.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 122' ' ' LYS . 69.0 mt -61.66 -34.82 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.79 -179.734 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.34 -43.74 73.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.394 179.692 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 132' ' ' LYS . 71.9 t80 -58.3 -48.6 79.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 179.66 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.26 -46.32 88.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.14 -179.826 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.88 -51.03 43.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.491 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -24.57 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.873 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -69.5 -29.17 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.711 -179.827 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -72.11 -12.35 61.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.996 179.861 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 156.82 -70.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 135' ' ' ARG . 0.0 OUTLIER -156.24 11.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.763 0.316 . . . . 0.0 110.824 179.884 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.767 0.318 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.69 126.79 31.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.06 -3.25 58.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.1 mt -92.66 5.69 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.74 -27.37 44.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.64 -10.74 6.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -110.82 128.5 55.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.5 t -167.71 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.007 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.89 124.47 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.15 -9.25 46.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.5 mt 58.48 17.97 5.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 m -122.34 109.15 14.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.9 t80 58.37 -90.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.8 t 58.43 106.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.947 0.403 . . . . 0.0 111.41 179.835 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 96.7 p -137.0 -20.99 1.24 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -75.72 -39.65 56.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.368 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.2 p -90.57 16.59 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -121.38 178.29 4.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.019 0.438 . . . . 0.0 111.293 -179.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.75 -23.13 67.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.301 -179.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.22 -48.03 77.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -179.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 25' ' ' VAL . 39.7 t80 -63.32 -37.57 87.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.33 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.6 -54.45 27.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.331 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 21' ' ' PHE . 4.6 p -55.39 -46.84 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.048 -179.536 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' PHE . 68.8 t -52.85 -43.41 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.59 179.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.11 91.29 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.874 179.355 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -67.46 -53.2 30.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.581 0.229 . . . . 0.0 110.956 179.721 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 32' ' ' ILE . 8.2 mp -52.31 -48.42 65.41 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.856 179.799 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -55.85 -42.8 76.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -61.76 -32.06 72.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.498 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.6 mt -77.74 -37.31 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 28' ' ' LEU . 81.3 mt -62.25 -36.97 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.192 -179.755 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -92.42 15.39 14.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.244 -179.691 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.22 135.82 33.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.34 -43.54 83.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.338 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.52 -29.32 70.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -76.79 -47.08 22.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.087 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -57.55 -37.55 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.807 0.337 . . . . 0.0 110.79 179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 tp -69.44 -46.53 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 72' ' ' LEU . 25.5 tp -63.09 -33.29 75.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.649 -179.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -72.02 -41.32 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.482 -179.0 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -79.01 -32.16 44.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.306 -179.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -68.94 -38.16 79.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.38 -179.541 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.75 -38.2 39.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.767 0.318 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.91 -26.16 66.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 -179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.76 -30.64 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.261 179.805 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -93.44 -43.22 8.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.417 -179.468 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.33 -49.78 76.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.939 -179.492 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.3 OUTLIER -57.13 -18.04 13.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.137 -179.342 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.7 -48.85 11.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.712 179.437 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.8 -38.48 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -76.98 87.69 3.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.003 -179.893 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -98.29 141.9 30.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.531 179.565 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -64.25 96.5 0.16 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.4 p -139.38 168.91 18.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -101.81 -31.47 10.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.39 130.55 39.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.49 145.52 31.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.796 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -122.72 154.3 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.019 -179.888 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 tp -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.5 tp -70.81 -15.82 19.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -179.734 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -70.88 -19.11 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 87.3 m -74.43 -53.04 3.68 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.547 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.0 Cg_endo -64.38 -42.36 17.47 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 121.952 1.768 . . . . 0.0 112.055 179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.25 -44.67 96.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.82 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.56 -40.5 83.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -61.28 -36.19 79.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 179.698 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.51 -33.65 75.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.841 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -66.49 -45.57 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.15 0.5 . . . . 0.0 111.167 -179.861 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.3 mm -69.81 -28.74 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.281 -179.829 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 48.3 t -86.0 -28.43 24.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.785 -179.436 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.633 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.92 -64.2 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -74.37 -61.65 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.203 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 11.5 tp10 -53.65 -37.9 63.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.707 -178.686 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' SER . 1.8 tmtp? -72.66 -35.22 67.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.675 0.274 . . . . 0.0 111.13 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -59.35 -56.44 22.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.425 -179.871 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.461 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 43.5 mt -61.91 -42.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.386 -179.524 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.96 -49.42 73.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.625 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 23.1 mm-40 -60.25 -43.84 95.76 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.529 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -58.18 -37.87 75.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.669 0.271 . . . . 0.0 111.556 -179.343 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.04 -35.46 59.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.369 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.82 -28.87 67.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 82.6 mm-40 -58.76 -18.44 31.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.652 0.263 . . . . 0.0 111.4 -179.817 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -121.9 -20.35 6.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.078 -179.878 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mt -134.02 89.86 27.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.44 -2.89 11.98 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.465 2.11 . . . . 0.0 112.498 -179.875 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -113.35 15.61 19.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.677 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.77 141.5 36.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.264 -179.629 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -125.19 100.52 6.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.44 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -28.13 67.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.696 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.35 -57.67 7.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.359 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.79 -26.28 65.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -65.18 -49.22 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.2 p -65.29 -42.12 93.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.329 -179.831 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.9 m -59.29 -44.26 92.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.479 -179.664 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.8 m -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.814 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 1.3 tt -66.73 -37.17 84.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.979 -179.805 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -50.61 -37.6 41.05 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.396 -179.293 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -88.96 -35.81 16.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.43 . . . . 0.0 110.436 179.582 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -66.02 -5.32 9.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.882 -179.566 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 56.9 mtpt -56.64 -19.35 15.82 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.91 179.354 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -70.01 -2.75 13.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -127.41 -59.9 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.413 -179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 97' ' ' LEU . 5.0 p -59.44 159.21 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.195 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.14 107.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.718 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.89 -30.47 77.81 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -65.98 -38.86 89.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 -179.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.51 -50.26 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.581 -179.486 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -65.36 -29.31 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -48.69 -31.07 6.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.735 0.302 . . . . 0.0 110.832 -179.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -72.6 -49.81 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.143 0.497 . . . . 0.0 109.851 179.057 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.658 179.528 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' C ' ' H ' ' A' ' 115' ' ' PHE . 41.2 tp -50.7 -27.34 6.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.012 -179.423 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.9 p -56.75 -5.44 0.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.767 179.795 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.461 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 8.5 m-85 -64.65 -24.73 67.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.762 0.315 . . . . 0.0 110.805 179.605 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.3 p -132.68 -43.43 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.533 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.45 89.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.011 0.434 . . . . 0.0 110.943 -179.593 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -60.11 -32.85 71.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.182 -179.797 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.96 -36.82 80.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.94 -32.11 61.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.483 179.728 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.94 -54.7 41.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.515 179.766 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -66.67 -36.95 83.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.739 179.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -67.65 -28.52 67.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.763 179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 60.2 ttp -69.23 -47.65 64.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.476 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 48.6 m-85 -69.61 -40.49 76.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.255 -179.92 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.75 -42.13 98.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.76 -47.59 74.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.14 -35.03 70.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -71.03 -41.17 71.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.33 71.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.09 -23.47 65.85 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -71.27 -13.64 61.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -100.66 0.69 39.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -94.37 -30.91 8.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.0 155.07 17.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.39 179.899 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -157.09 -62.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.9 -6.9 56.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.35 -15.15 41.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.018 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -88.23 103.22 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.21 174.99 39.56 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.13 100.42 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.3 t -157.6 -33.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 56.97 -169.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.02 -5.31 3.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.26 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.46 171.68 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.179 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -134.07 -6.71 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -117.79 140.05 50.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -152.27 149.12 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.785 -179.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.7 m -95.23 -11.13 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.951 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.55 -4.6 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.39 -179.82 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.0 m -48.91 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -171.45 -84.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 111.221 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.94 -30.18 70.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.609 -179.532 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.16 -50.0 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.972 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -54.49 -46.13 73.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 179.63 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -56.95 -38.01 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.66 90.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 179.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.12 -40.7 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.758 179.6 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.29 -35.96 60.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.671 179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.36 -48.82 65.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.253 179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -59.93 -30.22 68.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -68.99 -47.44 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -56.55 -41.81 77.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -63.05 -32.79 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 -179.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.3 mt -76.38 -43.15 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.043 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.1 -33.37 60.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.087 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 71.5 mtm -92.46 5.48 50.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.089 -179.787 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.93 135.89 38.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.659 179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -58.86 -42.37 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.27 -29.21 70.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -75.94 -44.66 38.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.798 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -68.12 -34.02 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.823 179.841 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.4 tt -69.05 -46.27 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.712 -179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.63 -51.03 62.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -54.4 -49.57 69.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.599 -179.516 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -64.53 -33.16 75.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.525 -179.56 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.47 -47.93 83.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.583 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -78.54 -43.65 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 78.5 mtp -56.75 -24.6 51.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 110.735 179.692 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.87 -30.44 63.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.163 179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -101.64 -41.96 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.293 -179.835 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.01 -45.13 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.224 -179.408 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.42 -28.86 63.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.654 0.264 . . . . 0.0 111.685 -178.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.56 -37.28 27.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.301 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.44 -44.19 79.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.939 0.399 . . . . 0.0 110.669 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -73.48 90.89 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.33 152.6 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.566 179.78 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.6 -4.15 8.02 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.432 -179.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.5 p -66.71 149.28 50.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -84.15 -8.05 59.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 116.52 20.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 179.833 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -95.9 122.13 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 -179.648 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HB2' HG22 ' A' ' 61' ' ' ILE . 54.4 mtpt -91.33 177.16 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.673 179.763 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.9 tp -79.99 -18.42 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 9.8 tp -64.9 -19.28 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 111.082 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -72.19 -18.54 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.391 -179.801 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.482 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 39.4 m -72.28 -52.82 6.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.456 -179.872 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 63' ' ' THR . 41.3 Cg_endo -67.3 -40.47 10.96 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 121.997 1.798 . . . . 0.0 111.935 179.22 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.8 mt -59.29 -44.46 92.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 70' ' ' ILE . 86.4 t80 -62.68 -45.12 94.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 179.911 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -59.71 -32.25 70.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.92 -38.96 76.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' CE2' HG21 ' A' ' 73' ' ' VAL . 57.4 t80 -69.44 -38.9 78.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.568 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.7 mm -74.1 -28.78 23.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.461 -179.691 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.5 m -85.4 -34.42 21.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.735 -179.647 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 -62.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 69' ' ' TYR . 56.6 t -67.32 -59.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -177.733 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 41.0 tt0 -51.89 -43.19 63.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.747 0.308 . . . . 0.0 111.414 -178.932 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.6 -24.04 60.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.087 179.914 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.14 -47.95 82.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.724 0.297 . . . . 0.0 110.468 179.595 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 74.9 mt -69.74 -44.21 79.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.007 179.675 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.11 -50.24 73.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.548 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 19.7 mm-40 -60.51 -46.41 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.592 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.76 -33.07 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.195 -179.624 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.7 -35.36 52.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.097 179.893 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.55 -23.45 65.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.329 -179.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 26.1 mt-30 -58.78 -25.49 63.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.227 -179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -118.22 -22.4 7.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.086 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.6 mt -128.24 89.25 50.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.852 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.21 -3.66 13.35 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.486 2.124 . . . . 0.0 112.48 -179.772 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -113.76 16.02 18.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.76 134.31 41.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.248 -179.654 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -115.65 100.21 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.482 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -32.75 72.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.177 -179.489 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.5 -57.8 5.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.63 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.59 -26.31 67.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.355 -179.762 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -64.58 -53.17 51.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.4 p -63.96 -36.88 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.5 m -56.31 -49.91 72.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 -179.792 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.3 m -76.49 -29.27 56.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.799 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.66 -47.26 80.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -51.49 -28.67 14.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.555 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -90.76 -38.66 12.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.418 179.461 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -68.59 -5.08 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.837 -179.639 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -59.85 -19.88 53.74 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -54.94 -21.36 11.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.913 0.387 . . . . 0.0 110.717 179.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -121.98 -40.27 2.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.487 179.807 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.2 146.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.69 112.14 5.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.837 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.5 -30.48 77.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.52 -41.04 96.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.621 0.248 . . . . 0.0 111.503 -179.73 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.2 mt -73.44 -49.22 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.614 -179.475 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.15 -28.77 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.1 -179.882 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -48.34 -29.71 4.21 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.64 -50.86 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.217 0.532 . . . . 0.0 109.802 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.48 -23.16 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.787 179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 115' ' ' PHE . 48.2 tp -50.9 -27.39 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.018 -179.557 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.8 p -61.59 0.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.849 179.884 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.456 ' HZ ' HD12 ' A' ' 77' ' ' ILE . 6.2 m-85 -64.7 -28.06 69.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 48.1 p -141.05 -33.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.754 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -74.46 93.33 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.923 -179.75 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.7 -26.49 67.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.16 -37.94 86.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.62 -32.47 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -63.66 -54.16 39.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' O ' HD13 ' A' ' 126' ' ' LEU . 88.1 tttt -62.09 -51.49 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.04 -30.2 65.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.847 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 56.4 ttp -63.18 -47.69 81.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.615 179.887 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.36 -41.6 96.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 179.776 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.5 mp -57.53 -47.19 82.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.825 0.345 . . . . 0.0 110.79 179.89 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.14 -40.69 96.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -57.11 -36.67 70.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -71.06 -36.48 72.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.508 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.79 73.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.47 -32.55 72.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.85 -39.95 94.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -81.06 -9.34 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -74.69 -26.1 68.18 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.445 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 53.9 95.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 111.161 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.447 -1.196 . . . . 0.0 112.566 179.966 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.718 0.294 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.04 -44.45 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.847 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.95 -85.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.474 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.7 mt -73.33 108.19 6.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.819 179.98 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.98 -25.98 68.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.78 169.45 13.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -132.2 -70.09 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.1 p -163.73 -12.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 59.39 -175.83 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.22 14.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt 59.68 -174.35 0.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.8 t 62.15 -83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 65.82 136.4 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 81.8 p 47.6 85.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.375 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.6 t -170.46 -61.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -19.45 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.715 -179.748 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 t -132.98 28.48 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -156.94 -81.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.96 0.409 . . . . 0.0 111.383 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.91 -56.95 7.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.497 -179.613 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.6 tp10 -62.48 -44.9 95.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -56.17 -47.45 78.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.67 -40.03 82.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.53 -44.28 89.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.669 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 20' ' ' GLU . 34.8 t -58.4 -43.23 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.809 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.94 -42.92 73.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.97 -52.59 51.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 179.883 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -57.02 -32.86 66.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 81' ' ' LEU . 78.0 mt -64.77 -48.15 75.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.94 -41.25 74.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.056 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -60.48 -32.52 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.046 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.0 mt -78.51 -34.88 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.307 -179.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 28' ' ' LEU . 69.1 mt -64.24 -39.88 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.161 -179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.4 mmt -91.84 10.65 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.255 -179.767 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.43 130.43 39.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -56.84 -46.48 81.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.248 -179.772 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.64 -30.45 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -69.91 -37.24 75.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.708 179.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -69.11 -35.16 76.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.79 -50.71 48.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.01 -50.79 64.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.488 -179.604 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HG3' ' SD ' ' A' ' 45' ' ' MET . 52.4 tp60 -56.83 -41.74 78.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.3 -179.313 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -70.18 -34.24 72.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -58.43 -46.85 85.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.471 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -78.7 -47.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.728 -179.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.407 ' SD ' ' HG3' ' A' ' 41' ' ' GLN . 83.7 mtp -55.02 -24.79 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -57.48 -31.05 65.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.499 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 50' ' ' LEU . 75.0 mmtt -97.76 -39.08 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.599 -179.407 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.48 -51.5 64.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.684 -179.617 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -16.1 47.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.646 -179.121 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 47' ' ' LYS . 88.1 mt -81.56 -46.42 14.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.707 0.289 . . . . 0.0 111.507 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -71.74 -38.56 70.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.871 -179.405 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.5 90.11 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.093 -179.685 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -99.21 155.44 17.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.45 93.22 7.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.7 p -139.44 163.15 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.837 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.84 -5.38 59.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.82 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -109.88 124.13 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.263 -179.725 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.21 161.36 13.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.792 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HB2' HG22 ' A' ' 61' ' ' ILE . 52.7 mtmt -130.31 167.83 17.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.952 0.406 . . . . 0.0 111.292 -179.712 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.4 mm? -80.21 -14.48 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.3 tp -63.47 -21.74 29.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.068 0.461 . . . . 0.0 111.047 -179.866 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.05 -19.48 63.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.447 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 55.3 m -73.22 -53.03 5.04 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.586 -179.754 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 63' ' ' THR . 31.2 Cg_endo -64.31 -42.1 18.76 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.976 1.784 . . . . 0.0 111.81 179.343 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.9 mt -59.77 -43.91 92.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.733 179.6 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' O ' HG12 ' A' ' 70' ' ' ILE . 84.6 t80 -59.39 -44.01 92.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.537 179.74 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -58.41 -37.46 75.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.539 179.644 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.67 -36.82 85.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.74 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -67.65 -34.07 76.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.584 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.54 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.3 mm -74.37 -29.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.441 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 48.1 t -89.08 -25.13 22.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -90.55 -63.52 1.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.921 0.391 . . . . 0.0 111.678 179.899 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -74.2 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.376 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 36.0 tt0 -55.16 -38.1 67.85 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -178.53 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -70.43 -37.98 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.757 -179.894 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -57.76 -44.68 86.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.709 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.26 -41.48 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.832 179.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -59.64 -50.41 73.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.649 -179.539 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 45.4 mt-10 -61.17 -49.54 76.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.673 0.273 . . . . 0.0 111.632 -179.509 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -58.49 -29.02 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.085 -179.243 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 28' ' ' LEU . 76.5 mt -78.63 -38.62 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.157 0.503 . . . . 0.0 111.005 -179.597 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -68.79 -22.8 64.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.064 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 20.0 mm-40 -54.52 -18.53 4.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.1 179.608 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -122.75 -19.35 6.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.056 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -129.26 94.65 32.76 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.271 -179.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.4 -12.23 24.99 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.374 2.049 . . . . 0.0 112.409 -179.992 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.06 16.3 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.409 179.892 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' A' ' 85' ' ' ILE . 44.3 t80 -64.0 148.59 49.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.528 -179.48 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -131.29 86.27 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.403 179.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.07 -25.93 67.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.118 -179.534 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.81 -58.14 6.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.71 -25.91 63.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.45 -52.06 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.2 p -63.54 -45.85 88.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.447 -179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.8 p -55.31 -49.02 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 111.012 179.886 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 36.1 m -70.44 -29.73 66.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -38.18 82.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -52.49 -25.7 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -102.61 -31.3 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.462 179.617 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -70.42 -6.84 38.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -66.32 -14.41 61.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 179.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.22 -5.6 56.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -120.52 -44.74 2.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 105' ' ' ALA . 9.9 p -81.48 161.01 3.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -58.06 107.15 0.44 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.304 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.56 -30.62 78.15 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.276 179.851 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.12 -36.44 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 105' ' ' ALA . 77.1 mt -73.27 -49.67 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.78 -28.76 69.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -48.4 -28.92 3.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.073 -179.298 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.1 ttp -71.44 -51.87 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.223 0.535 . . . . 0.0 109.924 179.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.22 -23.05 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.62 179.799 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 32.7 tp -50.49 -26.92 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 -179.656 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 75.8 p -62.01 3.88 0.15 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.003 179.921 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.0 m-85 -64.63 -30.16 71.17 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 179.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -140.49 -27.75 0.73 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.826 -179.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.55 90.24 0.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -57.91 -36.13 72.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.8 -39.41 84.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.79 -27.05 55.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.993 0.425 . . . . 0.0 110.771 179.797 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -63.87 -54.12 39.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.667 -179.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -65.42 -51.73 58.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.1 -28.8 41.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.3 ttp -71.06 -48.03 54.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.228 -179.861 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -65.7 -49.67 67.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.501 -179.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.86 -41.58 74.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.979 -179.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -64.96 -45.06 87.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.451 179.585 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -58.56 -34.13 70.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.519 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.24 -51.35 66.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.496 179.496 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.04 63.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.282 -179.913 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -55.06 -44.7 74.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.185 179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -20.96 60.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.908 0.385 . . . . 0.0 110.687 179.723 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -94.0 7.29 45.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.47 -23.55 1.7 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.597 179.986 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -80.0 -31.94 39.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.696 0.284 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.61 -179.852 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.724 0.297 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 62.11 169.53 0.12 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.45 14.72 25.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.364 -179.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mp 57.46 18.55 4.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.333 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -80.81 142.77 33.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.83 179.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.55 -18.74 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.459 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.48 -53.55 4.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.816 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.7 p -83.09 138.3 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.34 150.54 39.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 174.5 7.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.8 tp -153.24 -14.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -85.47 110.76 19.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -130.06 116.2 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.484 ' HB2' ' HB2' ' A' ' 18' ' ' ASP . 30.5 p 47.64 -97.12 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.237 -179.863 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m 61.51 -80.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.675 0.274 . . . . 0.0 111.611 179.675 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HA ' ' HB2' ' A' ' 21' ' ' PHE . . . -56.81 -40.76 76.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.347 -179.841 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.9 p -96.59 24.66 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.76 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 23.0 t70 -132.85 171.17 14.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 -179.828 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.5 -23.34 15.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.565 179.887 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.0 -47.55 77.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.108 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 91.0 t80 -55.43 -49.66 71.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -57.53 -36.42 71.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -45.25 94.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.29 -45.14 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.26 -39.04 65.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.72 179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.17 -46.97 92.88 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.277 179.745 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -59.32 -32.73 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.894 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.16 -46.95 72.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HA ' HD12 ' A' ' 32' ' ' ILE . 45.2 mt-10 -54.66 -46.64 74.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -55.84 -34.17 65.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.869 179.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 27' ' ' TYR . 70.8 mt -74.34 -40.7 50.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 29' ' ' GLU . 84.2 mt -54.2 -39.34 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.043 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -95.9 -5.59 41.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.104 -179.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 36' ' ' GLU . 31.6 t70 -61.55 121.99 14.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.75 -48.5 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.694 -179.516 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . 10.3 tp10 -57.13 -34.86 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.937 -179.719 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -71.19 -34.11 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.597 179.672 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 34' ' ' ASP . 87.8 mt-30 -64.77 -43.31 93.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.686 179.942 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.3 tm? -66.06 -44.25 85.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 72' ' ' LEU . 2.5 tm? -58.26 -52.59 64.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.171 -179.861 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -62.08 -54.02 47.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.799 -179.012 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -61.44 -32.36 72.33 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.16 -49.73 74.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.614 0.245 . . . . 0.0 111.515 -179.32 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -79.4 -35.58 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.63 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 84.6 mmm -61.11 -27.03 68.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.986 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -59.71 -31.47 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -97.91 -38.69 9.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.405 -179.641 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 7.2 m-85 -57.41 -53.02 62.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.886 -179.597 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -16.66 22.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.579 0.228 . . . . 0.0 111.609 -179.17 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.28 -50.63 9.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.236 179.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -58.8 -39.32 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.397 -179.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.7 90.38 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 -179.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.19 143.76 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.807 179.642 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.31 108.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.5 p -136.75 175.0 10.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -88.88 -40.34 13.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.985 179.919 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -116.26 121.08 40.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -65.3 136.84 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -82.5 173.82 11.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 53.7 tp -80.07 -18.68 49.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.6 tp -63.42 -15.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.29 -179.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -69.0 -23.32 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.453 -179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.7 m -73.76 -52.97 4.46 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 63' ' ' THR . 25.0 Cg_endo -62.49 -42.28 28.01 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.044 1.83 . . . . 0.0 112.263 179.58 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.2 mt -60.82 -45.68 97.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -59.0 -42.76 90.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -59.92 -38.13 81.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.65 -32.15 72.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' CE1' HG21 ' A' ' 73' ' ' VAL . 56.2 t80 -69.84 -36.74 75.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.563 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 40.0 mm -74.16 -28.9 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.415 -179.874 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 m -89.4 -27.38 20.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.746 -179.585 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 40' ' ' LEU . 2.9 tm? -90.4 -63.11 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.504 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 69' ' ' TYR . 40.5 t -73.5 -60.91 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.167 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.563 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -51.88 -43.68 63.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 -178.907 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.58 -38.29 89.1 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.885 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -55.55 -45.97 77.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.971 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.52 -44.64 98.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.17 -43.02 82.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.184 -179.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -63.06 -49.53 74.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.209 -179.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -58.57 -33.13 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.586 -179.539 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -76.73 -33.74 58.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.637 0.256 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.6 mt -69.76 -23.9 63.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -61.37 -20.89 63.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.91 179.763 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 85' ' ' ILE . 41.5 mmt180 -112.53 -37.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 84' ' ' ARG . 4.9 mp -126.11 87.85 55.37 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.691 179.754 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.15 -9.01 17.95 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.527 2.152 . . . . 0.0 112.439 -179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -106.2 16.75 24.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.671 179.932 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -83.35 146.28 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.045 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -121.66 106.1 11.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.554 179.725 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -33.91 77.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.561 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.86 -56.85 10.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.376 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.03 -26.15 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.288 -179.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 34.5 t80 -68.89 -47.97 64.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 -179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.2 p -61.21 -46.05 92.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.442 -179.797 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.5 p -55.25 -47.57 75.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 111.249 179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 92.8 m -72.39 -29.47 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 1.6 tt -66.62 -42.75 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.601 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -52.71 -31.31 37.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.883 0.373 . . . . 0.0 110.953 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -85.35 -43.02 14.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.215 179.261 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.62 -1.52 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.703 -179.811 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -63.33 -20.01 65.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.093 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.66 -18.72 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.895 179.699 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -106.69 -61.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.0 p -55.37 158.49 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.94 107.32 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.44 77.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.62 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -62.9 -38.44 90.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.673 0.273 . . . . 0.0 111.347 -179.788 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 78.7 mt -74.13 -49.82 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.385 -179.617 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -64.31 -28.58 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.184 -179.775 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -48.37 -30.11 4.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.069 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -72.31 -50.55 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 178.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.45 -22.74 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 115' ' ' PHE . 22.7 tp -50.6 -27.15 6.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.201 -179.343 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.2 p -60.28 1.2 0.13 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.992 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' H ' ' C ' ' A' ' 113' ' ' LEU . 7.3 m-85 -64.84 -33.38 75.87 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.57 0.224 . . . . 0.0 111.155 179.802 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -135.32 -32.09 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.647 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.4 90.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 111.27 -179.629 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -57.98 -37.54 74.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.734 179.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.49 -38.38 84.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.61 -28.88 56.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.4 -54.34 25.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.691 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.79 -42.12 95.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.538 179.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.7 -29.66 70.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.452 179.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.0 ttp -67.31 -44.19 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.603 179.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -64.3 -50.76 66.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.262 179.717 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.99 -32.32 70.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.62 -52.0 29.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 0.0 110.429 179.603 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -58.07 -33.53 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.438 179.711 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -64.99 -49.38 70.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.601 179.759 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.82 -32.72 63.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.189 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -56.03 -44.51 78.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.233 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -17.27 60.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.64 -4.27 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.75 7.28 53.05 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.317 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HE ' ' HA ' ' A' ' 135' ' ' ARG . 5.5 tpm_? -88.22 140.55 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.482 ' H ' ' HE ' ' A' ' 135' ' ' ARG . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.572 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.824 0.345 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -135.76 -66.83 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.796 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.8 -27.41 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.4 mp -86.99 172.81 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.529 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 61.59 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.133 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 99.2 0.84 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.387 -179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.629 ' HG2' ' H ' ' A' ' 9' ' ' PHE . 38.1 tt0 -133.78 116.18 15.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.6 p -82.06 11.79 4.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.629 ' H ' ' HG2' ' A' ' 7' ' ' GLU . 89.5 m-85 59.89 -174.87 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.38 141.51 32.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.204 179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 11' ' ' LEU . 7.5 mp -89.93 163.53 14.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.816 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.6 t -92.29 118.01 30.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -62.58 139.95 58.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.7 m -65.58 165.17 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -143.86 -40.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -54.08 36.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.188 -179.907 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -93.81 4.04 54.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.45 168.3 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.967 -179.836 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.48 -22.49 12.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.566 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.22 -47.35 75.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.277 -179.34 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -59.19 -44.96 92.21 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.679 0.276 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -56.67 -42.24 78.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -44.56 86.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.687 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 t -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.842 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.42 -41.24 71.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 179.663 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.15 -44.29 97.93 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.816 179.367 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' HG13 ' A' ' 31' ' ' ILE . 37.5 m-85 -61.3 -40.66 94.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.543 179.567 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 31' ' ' ILE . 99.2 mt -56.59 -43.3 79.95 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.807 179.917 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.93 -46.15 90.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.577 179.681 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.8 -32.77 67.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 28' ' ' LEU . 70.7 mt -67.8 -45.29 84.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.701 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.0 -39.21 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 91.7 mmm -96.73 9.1 42.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.365 -179.682 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.53 134.26 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.724 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.67 -52.69 62.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.42 -179.714 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.77 -28.14 63.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -77.77 -34.04 52.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.087 -179.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.62 -47.06 70.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.65 -45.91 70.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 72' ' ' LEU . 24.8 tp -61.18 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.248 -179.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.46 -49.07 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.444 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' HA ' ' HG2' ' A' ' 45' ' ' MET . 58.0 ttp180 -68.92 -32.32 71.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.254 -179.709 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.55 -46.49 82.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.23 -179.526 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -40.1 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.164 -179.45 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 42' ' ' ARG . 10.0 ptm -66.56 -24.77 66.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.357 . . . . 0.0 110.811 -179.597 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.52 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -93.73 -41.23 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.022 0.439 . . . . 0.0 110.761 -179.558 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -59.86 -49.8 76.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 -179.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 125' ' ' PHE . 0.5 OUTLIER -59.08 -17.12 23.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.718 0.294 . . . . 0.0 111.28 -179.263 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.3 mt -81.25 -48.9 11.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.845 179.592 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -68.86 -34.64 75.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.779 179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -78.66 85.7 4.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.925 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -103.92 145.29 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.14 93.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.4 p -143.93 -179.12 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -114.59 5.22 15.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.012 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -92.34 143.29 26.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.708 179.849 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -119.42 107.15 12.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' HG22 ' A' ' 61' ' ' ILE . 55.2 mtmt -95.89 163.74 13.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 60' ' ' LEU . 7.4 mp -80.19 -8.78 59.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' HB2' ' A' ' 59' ' ' LYS . 10.0 tp -63.93 -20.32 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.017 0.437 . . . . 0.0 110.948 179.805 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -71.16 -15.51 62.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.274 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.496 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 85.6 m -75.13 -53.47 2.83 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.192 179.751 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 63' ' ' THR . 30.5 Cg_endo -64.13 -37.92 39.36 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 121.869 1.713 . . . . 0.0 111.266 178.758 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 98.1 mt -63.76 -36.39 76.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.537 179.107 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -62.17 -49.45 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.472 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.33 -27.96 69.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.667 179.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.83 -41.22 95.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.602 179.765 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -68.88 -38.53 79.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.557 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 43.9 mm -73.66 -28.83 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.433 -179.786 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 60.7 m -88.75 -28.23 20.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.515 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.06 -62.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.421 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.35 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.917 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.4 -45.5 65.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.595 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 71' ' ' SER . 64.7 mttm -65.99 -37.3 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 -179.869 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -56.16 -47.1 78.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.973 179.857 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.77 -51.56 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.515 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HB2' ' SD ' ' A' ' 90' ' ' MET . 42.6 tt0 -58.5 -47.95 82.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.715 -179.416 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.84 -56.11 22.81 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -57.86 -28.04 63.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.644 0.259 . . . . 0.0 110.909 -179.073 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -71.8 -43.63 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.54 178.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.58 -23.46 67.27 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.77 -21.83 43.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -119.65 -23.22 6.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.12 90.96 33.51 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.41 -0.54 8.87 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.295 1.997 . . . . 0.0 112.381 -179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -112.84 13.07 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.789 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -76.34 141.18 41.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.791 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -125.92 92.71 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.197 179.439 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 78' ' ' GLU . 23.0 ttt -65.83 -17.92 64.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.445 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.74 -57.86 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.59 -26.06 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -67.28 -47.59 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.0 p -66.93 -43.56 82.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 28.5 p -57.02 -42.84 81.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.421 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 66.1 m -76.34 -29.32 57.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.386 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -35.71 81.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.233 -179.129 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 95' ' ' THR . 26.2 pt20 -50.17 -38.23 38.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.405 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 96' ' ' THR . 6.3 p-80 -103.48 -25.38 13.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.57 -6.77 43.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.322 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -65.11 -19.61 66.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.787 179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.21 -8.6 55.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.557 179.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -103.58 -54.74 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.595 179.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.0 -171.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 108' ' ' ILE . . . -79.39 107.48 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.833 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -60.11 -30.6 70.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.07 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -64.66 -35.04 79.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.606 0.241 . . . . 0.0 111.202 -179.793 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 105' ' ' ALA . 84.3 mt -72.18 -50.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.114 -179.943 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -66.27 -28.57 68.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -48.13 -27.71 2.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.866 -179.597 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.5 ttp -72.35 -52.5 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.123 0.487 . . . . 0.0 110.058 179.139 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.57 -23.24 66.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.642 179.906 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 115' ' ' PHE . 59.1 tp -50.5 -27.23 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.018 -179.414 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 79.9 p -59.17 -0.72 0.14 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.733 179.612 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 113' ' ' LEU . 6.5 m-85 -64.61 -25.7 68.08 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.654 0.264 . . . . 0.0 110.864 179.646 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -136.11 -29.25 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.54 -179.762 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -75.93 82.71 2.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -57.69 -29.7 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.0 tp -61.46 -42.3 98.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.752 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.41 -26.75 55.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -65.81 -54.49 26.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.43 -44.48 91.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.45 179.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -59.25 -28.99 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.4 ttp -68.74 -47.54 66.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.446 ' HB3' ' HA ' ' A' ' 49' ' ' TYR . 53.0 m-85 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.501 -179.794 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.1 -37.95 87.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.733 0.301 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -69.38 -38.56 78.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.562 179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -67.3 -35.67 79.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.65 179.804 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.45 -37.15 82.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.696 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.94 -32.81 72.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.9 -15.32 63.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -74.34 -2.2 24.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -95.96 -11.02 27.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.872 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -63.91 -54.16 32.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.605 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -143.17 6.04 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.247 179.744 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -138.33 -35.23 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.903 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.42 106.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.288 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.74 138.4 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -135.93 -21.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.85 109.52 2.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.329 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -83.95 116.79 22.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.859 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.0 t -156.61 144.72 19.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -126.1 -60.98 1.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.0 139.15 17.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 -179.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 11' ' ' LEU . 2.9 mm? -99.38 -177.55 3.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.4 m -75.13 -171.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -71.8 -172.0 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -78.45 117.91 20.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.0 t -156.26 -31.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.27 -22.17 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.447 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.6 t -122.11 16.85 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -137.6 -92.84 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.333 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -57.15 6.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.839 -179.54 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.0 -35.09 68.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.006 -179.583 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' O ' HG23 ' A' ' 25' ' ' VAL . 88.2 t80 -60.99 -41.49 96.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -67.42 -33.54 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 179.844 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.11 -54.73 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.473 -179.838 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 21' ' ' PHE . 3.5 p -56.27 -43.4 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.975 -179.745 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 21' ' ' PHE . 48.2 t -54.16 -43.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.545 179.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.75 95.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.957 179.438 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -61.29 -38.12 85.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.6 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.547 HD21 HD11 ' A' ' 81' ' ' LEU . 82.4 mt -59.23 -43.8 92.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.713 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.44 -39.93 92.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -69.3 -35.72 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.292 -179.845 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.81 -38.08 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.397 -179.531 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.01 -40.31 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.065 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 25.3 mmt -85.69 8.04 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.09 138.6 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 -179.981 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.95 -42.11 84.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.69 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.76 -30.6 71.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.25 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -76.81 -40.98 46.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -68.83 -35.46 76.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.13 -47.35 65.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.33 -52.62 45.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.439 -179.472 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.66 -53.96 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.465 -179.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -59.24 -39.8 83.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.266 -179.524 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.73 -47.37 70.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.571 -179.587 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -76.83 -35.47 57.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.543 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.5 mmm -56.14 -30.65 62.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.649 0.261 . . . . 0.0 111.269 -179.796 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -63.45 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.625 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -94.42 -43.43 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 111.698 -179.473 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' HE2' ' HB2' ' A' ' 69' ' ' TYR . 8.7 m-85 -56.52 -51.93 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.778 -179.578 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -17.27 26.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.646 -179.124 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.06 -49.43 10.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.77 0.319 . . . . 0.0 110.978 179.736 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -61.07 -40.95 95.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.92 90.0 1.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.08 145.74 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.85 93.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.0 p -139.68 154.09 47.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -98.03 -22.07 16.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.86 142.97 46.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.38 132.84 34.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.72 151.44 37.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.792 179.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.32 -9.56 59.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.305 -179.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.9 tp -71.15 -17.59 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 111.478 -179.45 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -71.5 -19.01 62.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.346 -179.919 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 64' ' ' PRO . 41.5 m -73.84 -52.48 4.6 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.57 -179.75 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 63' ' ' THR . 38.2 Cg_endo -66.59 -41.48 11.3 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.11 1.873 . . . . 0.0 112.333 179.571 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.44 -43.49 98.3 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.194 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.04 -46.62 89.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -64.3 -31.63 72.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.27 -36.63 79.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' HB2' ' HE2' ' A' ' 48' ' ' TYR . 74.0 t80 -69.62 -42.04 74.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -179.676 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 35.4 mm -72.57 -29.33 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.35 -179.68 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.8 t -83.24 -31.13 27.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.253 -179.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 72' ' ' LEU . 3.2 tm? -90.47 -63.19 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -179.561 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.1 t -73.48 -61.66 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 2.7 tm-20 -52.37 -41.93 63.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.287 -178.865 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -67.72 -35.83 79.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.718 179.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -57.96 -52.62 64.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 179.843 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.43 -41.9 85.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 82' ' ' LEU . 39.5 tt0 -58.66 -50.71 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.545 -179.476 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 14.3 mm-40 -60.33 -43.48 96.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.739 -179.289 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -59.24 -36.45 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.947 -179.172 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 28' ' ' LEU . 95.3 mt -78.38 -36.41 45.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.983 0.421 . . . . 0.0 111.317 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -67.51 -23.17 65.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.417 -179.01 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 95.0 mt-30 -54.21 -23.23 13.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.221 179.772 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -122.36 -15.96 7.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -179.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -133.29 90.48 29.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.889 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -69.78 -26.26 27.66 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.391 2.061 . . . . 0.0 112.649 -179.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.02 17.17 9.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.66 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -57.64 147.99 25.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.536 -179.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.49 HD22 ' HB3' ' A' ' 92' ' ' ALA . 1.6 p-10 -127.94 87.91 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.397 179.354 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.1 tpt -62.04 -27.72 69.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.244 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.97 -58.33 4.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.381 -179.764 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 89' ' ' ASN . . . -68.4 -25.3 64.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.846 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -65.28 -52.21 55.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.4 p -64.38 -37.65 88.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 48.7 m -63.04 -45.95 89.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -73.25 -29.46 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.7 tt -63.01 -44.33 96.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.69 -179.827 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -51.44 -37.1 46.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -80.39 -40.52 26.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.493 179.627 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -67.07 -6.97 19.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.316 -179.743 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -58.17 -15.54 10.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.577 179.507 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -60.45 -12.67 10.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 179.64 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -138.49 -35.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.87 144.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.78 107.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.29 -30.55 76.92 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.598 0.237 . . . . 0.0 111.52 -179.604 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' ' 111' ' ' MET . 63.8 mt -74.4 -50.37 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.686 0.279 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 112' ' ' LEU . 27.8 t80 -61.56 -27.43 68.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 110.563 179.694 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.36 -38.29 18.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.489 -179.367 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.525 ' HG3' ' N ' ' A' ' 112' ' ' LEU . 8.5 ptt? -72.56 -38.44 67.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 109.985 179.347 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' N ' ' HG3' ' A' ' 111' ' ' MET . 73.3 mt -65.89 -23.12 66.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 115' ' ' PHE . 57.5 mt -50.19 -27.3 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.813 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.4 p -54.89 -5.96 0.11 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.046 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' LEU . 12.0 m-85 -64.68 -34.6 78.68 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.737 0.303 . . . . 0.0 110.781 179.559 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.9 p -139.88 -32.85 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.388 -179.88 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.0 83.98 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.305 -179.782 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.33 -32.35 71.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.678 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.51 -36.13 82.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.43 57.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 110.648 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.58 -54.68 32.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' O ' HD13 ' A' ' 126' ' ' LEU . 63.7 tttm -63.57 -48.95 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.774 179.904 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -57.41 -32.75 67.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.1 ttp -63.03 -47.93 80.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.482 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -64.64 -46.34 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.264 179.949 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 122' ' ' LYS . 10.9 mp -59.3 -30.42 68.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.38 -42.74 78.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.37 179.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -57.1 -48.03 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.721 179.57 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -71.05 -28.37 64.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.823 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.53 -40.69 88.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.28 -22.38 65.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -71.48 -14.97 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.03 -13.54 61.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.113 -179.757 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.14 -7.53 30.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -162.77 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.44 -179.992 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.779 0.324 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 58.08 19.0 5.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.246 179.965 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.21 109.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.406 179.836 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.9 mp -84.32 172.28 11.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -104.09 145.62 29.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.28 19.76 70.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.531 179.962 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -143.59 110.57 5.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.0 110.826 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -124.54 167.52 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.774 179.934 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.64 125.99 39.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.852 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.52 134.93 39.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.83 -55.43 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -67.37 171.11 6.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -84.49 -174.06 5.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.7 p -58.28 148.77 26.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.791 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 49.1 m -153.67 -23.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.029 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -55.61 30.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -83.72 6.94 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.753 179.808 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' SER . 5.5 m-20 -103.13 174.84 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.89 -23.44 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.417 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -56.72 -43.64 80.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.272 -179.44 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -52.87 -49.08 66.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.717 0.294 . . . . 0.0 110.727 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.53 -39.58 80.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.65 87.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.18 -41.18 80.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.821 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.66 -41.81 75.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.38 -41.84 99.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.15 179.411 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.5 -36.13 82.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 179.812 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.6 mt -60.88 -47.77 84.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.567 179.663 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -57.78 -39.82 78.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.61 179.742 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.89 -33.02 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.996 179.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 89.9 mt -74.34 -40.98 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.824 179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.02 -32.25 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 85.7 mtp -98.33 6.32 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.22 132.95 41.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.48 -51.96 67.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.365 -179.738 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.75 -26.04 61.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.125 -179.771 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -77.16 -35.74 55.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.92 -42.83 80.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.064 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' ND2' ' A' ' 43' ' ' ASN . 60.2 tp -68.77 -45.6 70.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.925 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 72' ' ' LEU . 14.5 tp -57.37 -52.08 66.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.999 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.575 -179.253 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.5 ttp180 -62.21 -33.66 74.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.536 -179.379 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.476 ' ND2' ' HG ' ' A' ' 39' ' ' LEU . 63.5 m-20 -60.31 -49.45 77.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.828 -179.428 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -78.97 -36.91 40.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.495 -179.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtp -59.92 -24.75 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.829 179.823 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.13 -31.02 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.703 179.526 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.89 -39.53 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -58.06 -45.59 86.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.702 -179.77 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.42 -16.64 63.83 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.701 0.286 . . . . 0.0 111.184 -179.229 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.63 -46.51 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.213 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -71.2 -36.32 71.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.764 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -77.03 88.21 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 -179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' HA ' HH22 ' A' ' 129' ' ' ARG . 41.7 mt-10 -114.78 139.56 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.839 179.911 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -76.4 97.04 4.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.982 -179.912 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.5 p -133.59 -175.43 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 179.885 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.91 -5.77 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -90.9 135.29 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -92.64 113.53 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.796 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -104.08 136.3 43.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.275 -179.781 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.38 -8.86 59.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 11.2 tp -60.67 -14.11 8.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.412 -179.647 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -71.09 -25.65 62.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.71 -179.734 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.66 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 69.3 m -71.37 -52.38 8.89 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.641 -179.63 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.66 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 38.3 Cg_exo -62.0 -46.93 11.69 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.954 1.77 . . . . 0.0 111.955 179.387 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.69 -42.57 89.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -58.04 -42.91 86.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -59.5 -38.82 81.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.72 -32.72 74.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.562 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' CE1' HG21 ' A' ' 73' ' ' VAL . 60.9 t80 -69.03 -39.82 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 31.9 mm -72.64 -29.08 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.096 -179.932 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.8 m -84.97 -28.92 25.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -90.78 -63.27 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.6 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.441 HG21 ' CE1' ' A' ' 69' ' ' TYR . 57.7 t -73.56 -61.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -178.101 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 3.4 tm-20 -52.32 -37.43 55.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.701 0.286 . . . . 0.0 111.222 -178.813 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 78' ' ' GLU . 1.4 tmmt? -72.78 -34.44 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -63.11 -32.92 74.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 0.0 110.519 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.68 -44.77 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.287 179.972 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.0 pt-20 -64.3 -36.59 84.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.231 -179.311 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.78 -48.05 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.681 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -58.31 -37.12 74.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.403 -179.453 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.7 mt -77.72 -35.68 51.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.538 -179.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 39.1 mt -66.86 -32.6 73.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.469 -179.612 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -65.97 -19.45 65.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.059 -179.841 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -108.56 -21.32 12.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 65.8 mt -137.33 95.39 11.64 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.33 -5.99 15.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.706 2.271 . . . . 0.0 112.866 -179.716 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -113.61 17.07 18.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -80.47 139.78 36.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.43 . . . . 0.0 111.279 -179.678 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -125.72 100.1 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.071 179.233 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.7 tpt -59.02 -24.83 63.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.487 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 -58.22 3.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.868 0.366 . . . . 0.0 111.526 -179.602 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -70.06 -51.02 35.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.275 -179.578 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 35.3 p -63.38 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.338 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 23.5 p -59.1 -43.71 91.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.003 0.43 . . . . 0.0 110.834 179.659 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.9 m -77.23 -29.07 53.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.482 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -46.4 86.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.158 -178.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 95' ' ' THR . 5.2 pp0? -51.62 -22.54 3.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.857 0.36 . . . . 0.0 111.184 -179.223 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -98.98 -38.32 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.207 179.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -70.11 -1.61 10.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.98 -179.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.12 -16.02 60.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.402 179.37 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.66 -13.34 62.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -63.58 1.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.829 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.78 155.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.64 107.93 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 179.966 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.0 -30.85 76.63 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.26 179.997 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.5 -33.62 76.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.781 0.324 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 42.0 mm -72.02 -50.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.73 -28.8 69.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.605 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -48.36 -29.55 4.08 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 -179.648 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 51.9 ttp -72.06 -51.28 22.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.041 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.516 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.5 mp -66.36 -22.76 66.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.716 179.888 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 115' ' ' PHE . 38.7 tp -50.6 -27.46 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -179.389 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.5 p -59.85 -0.26 0.19 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.686 179.803 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.45 ' H ' ' C ' ' A' ' 113' ' ' LEU . 4.8 m-85 -65.05 -31.71 73.07 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.663 0.268 . . . . 0.0 110.854 179.568 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 80.9 p -130.32 -26.52 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.585 -179.599 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.5 86.56 4.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.656 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.95 -32.61 70.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.196 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.53 -36.44 82.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -76.35 -32.33 58.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.793 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -66.8 -54.75 19.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.963 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -62.1 -51.75 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.0 -30.27 61.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.87 -47.06 79.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.29 -39.51 89.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.299 179.924 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -59.06 -52.13 67.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 0.0 110.657 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.02 -35.47 78.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.394 179.487 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -61.27 -41.88 97.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.521 179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.573 HH22 ' HA ' ' A' ' 53' ' ' GLU . 31.1 ttm180 -62.66 -42.27 99.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.647 179.755 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.87 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.89 179.805 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.18 -29.46 64.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.741 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -71.0 -10.41 59.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -70.24 -12.35 61.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.745 179.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 148.46 -53.32 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -162.08 -58.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.757 0.313 . . . . 0.0 110.784 -179.938 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.916 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -98.1 149.13 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.99 112.62 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.4 tp -155.61 125.51 6.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.61 0.85 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 116.16 90.14 1.58 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -111.38 108.91 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.94 -179.79 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.5 p -91.02 -61.66 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.81 179.864 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -142.73 114.54 8.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.607 179.771 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.07 -70.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.353 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.7 tp -154.33 111.16 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.796 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.9 p -66.74 -55.62 14.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -168.27 -70.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.0 t -166.27 -64.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.6 p -134.89 -16.59 1.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.798 -179.985 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 -4.24 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -46.57 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -170.78 -84.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -26.79 66.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.856 -179.366 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.71 -49.65 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.049 -179.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -53.6 -52.19 60.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.752 179.692 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.12 -37.1 68.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.79 94.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.785 179.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.68 -40.7 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 179.652 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.58 -40.97 72.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 179.532 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.74 -42.87 98.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.906 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -63.88 -32.22 73.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.821 0.343 . . . . 0.0 110.318 179.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.3 mt -65.46 -48.3 73.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.762 179.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.64 -32.76 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -70.46 -35.87 73.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.5 -41.48 42.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.323 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.25 -34.28 68.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.6 mmm -89.1 8.69 28.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.237 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -77.66 141.56 39.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 179.909 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -59.78 -44.48 93.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.427 -179.681 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.53 -23.49 67.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.308 -179.47 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -77.32 -44.63 28.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.237 -179.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.45 -42.43 99.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 111.079 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 tp -68.89 -43.66 74.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 -179.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.75 -50.29 72.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.609 -179.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -59.94 -49.02 79.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.764 -179.206 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -66.17 -32.83 74.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 111.586 -179.394 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -60.3 -47.93 83.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -77.42 -45.49 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.431 -179.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HA ' ' HB2' ' A' ' 48' ' ' TYR . 71.1 mtp -56.77 -25.25 54.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.702 0.287 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.17 -30.99 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 50' ' ' LEU . 44.7 mmtm -98.44 -33.68 10.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 7.1 m-85 -57.51 -54.6 45.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.833 -179.756 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -57.79 -16.9 12.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.613 0.244 . . . . 0.0 111.432 -179.175 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 47' ' ' LYS . 94.8 mt -81.4 -43.07 19.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.797 179.622 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -71.0 -37.21 72.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -75.42 87.81 2.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 110.794 179.914 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.78 144.67 31.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.58 100.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.8 p -129.42 165.95 20.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.63 -37.0 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -82.95 121.76 27.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 -179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -61.44 118.6 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.207 -179.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -92.63 149.36 21.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.642 179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 60' ' ' LEU . 3.8 mm? -80.32 -16.71 53.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.566 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 10.7 tp -65.76 -17.66 22.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.359 -179.599 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -70.12 -21.95 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.601 -179.609 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.678 ' HB ' ' HD3' ' A' ' 64' ' ' PRO . 72.1 m -75.6 -52.82 2.73 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.695 -179.703 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' A' ' 63' ' ' THR . 33.1 Cg_exo -60.36 -44.79 25.78 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.963 1.775 . . . . 0.0 112.04 179.277 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.87 -48.55 88.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.86 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.17 -40.05 76.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -63.96 -33.88 76.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 179.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.56 -36.87 85.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' VAL . 62.9 t80 -68.93 -36.78 78.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.77 179.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 74' ' ' GLU . 49.4 mm -73.87 -29.52 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.402 -179.775 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.6 m -86.33 -28.46 23.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.457 -179.761 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 72' ' ' LEU . 3.2 tm? -90.67 -62.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.133 0.419 . . . . 0.0 112.133 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 69' ' ' TYR . 58.2 t -73.7 -61.76 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.12 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.529 ' HB3' ' O ' ' A' ' 70' ' ' ILE . 35.2 tt0 -52.39 -37.64 56.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.731 0.3 . . . . 0.0 111.241 -178.759 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -72.18 -34.02 68.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.885 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -58.49 -57.64 12.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.205 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.45 HD12 ' HZ ' ' A' ' 115' ' ' PHE . 57.5 mt -59.54 -45.67 93.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.231 -179.81 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.65 -48.77 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.529 -179.507 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 83' ' ' GLN . 29.1 mm-40 -65.77 -44.43 85.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.769 -179.305 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.37 -35.55 72.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.429 -179.517 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.61 -37.25 50.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.396 -179.815 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.62 -23.15 66.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.572 ' HA ' HE21 ' A' ' 83' ' ' GLN . 0.0 OUTLIER -53.83 -24.45 15.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.264 -179.92 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HB3' HD12 ' A' ' 85' ' ' ILE . 35.9 ttt180 -119.51 -39.22 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' ARG . 4.6 mp -108.48 93.13 11.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.956 179.77 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.85 -5.81 17.85 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.441 2.094 . . . . 0.0 112.499 -179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -110.18 14.85 22.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -75.53 145.76 41.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.051 -179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -130.97 104.49 7.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.146 179.42 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.38 -32.25 66.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.485 -179.286 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.13 -57.93 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.603 -179.341 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.7 -25.36 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.336 -179.73 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' LEU . 79.8 t80 -65.75 -52.01 54.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.009 -179.74 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.7 p -62.61 -42.41 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.339 -179.908 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -56.33 -46.31 79.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 111.028 179.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.3 m -76.38 -29.15 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 93' ' ' PHE . 0.8 OUTLIER -58.62 -37.03 75.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.297 -179.665 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -50.83 -40.26 55.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 -179.566 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -80.53 -40.56 25.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.076 0.465 . . . . 0.0 110.372 179.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -70.2 -2.7 13.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.3 -21.73 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.51 179.634 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.12 -14.88 61.62 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -116.3 -47.14 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.521 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 85.5 t -70.39 147.23 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.768 179.751 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.37 107.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.422 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.94 -30.55 78.31 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.453 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -63.44 -38.82 92.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.472 0.177 . . . . 0.0 111.394 -179.599 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 98.8 mt -72.68 -50.77 31.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.856 0.36 . . . . 0.0 111.188 -179.753 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 16.1 t80 -63.4 -30.11 71.29 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.536 -179.812 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -58.73 -36.89 75.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.662 0.268 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.0 ttp -73.16 -53.85 9.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.067 0.46 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.48 -19.92 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.429 179.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 115' ' ' PHE . 68.6 tp -49.52 -24.84 2.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.903 179.066 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 41.3 p -48.42 -4.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 179.638 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 113' ' ' LEU . 10.9 m-85 -62.63 -28.05 69.64 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.784 0.326 . . . . 0.0 110.592 179.042 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 62.9 p -127.48 -28.31 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.502 -179.618 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.25 82.88 7.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.934 0.397 . . . . 0.0 111.246 -179.836 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -61.06 -27.46 68.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 119' ' ' LEU . 3.8 mm? -63.79 -39.86 95.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.71 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.97 -27.1 57.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 179.765 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -64.09 -54.49 33.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.463 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -61.84 -51.97 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -58.27 -29.78 66.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 53.2 ttp -63.89 -47.95 78.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -66.38 -42.12 88.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.13 -33.78 72.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.045 -179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -70.26 -47.45 61.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.67 -37.83 85.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.821 179.88 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.12 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 179.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.41 -30.48 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.84 -30.59 70.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -62.33 -44.73 95.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.707 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -89.94 3.84 51.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.837 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.24 -61.04 7.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -93.46 106.2 18.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.422 179.885 . . . . . . . . 0 0 . 1 stop_ save_